 Entering Gaussian System, Link 0=g16
 Input=22_phenylethanamine_conformer02_STD_B3LYPDBJ_augccpVDZ.in
 Output=22_phenylethanamine_conformer02_STD_B3LYPDBJ_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_augccpVDZ/Gau-81658.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_augccpVDZ/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     81667.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=22_phenylethanamine_conformer02_STD_B3LYPDBJ_augccpVDZ
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 19:44:00 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "22_phenylethanamine_conformer02_STD_B3LYPDBJ_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 1.772654000000      1.254975000000      0.322747000000
  C                                                 0.398664000000      1.096214000000      0.195259000000
  C                                                -0.142652000000     -0.142756000000     -0.146542000000
  C                                                 0.720678000000     -1.214760000000     -0.360157000000
  C                                                 2.095925000000     -1.060117000000     -0.230036000000
  C                                                 2.626396000000      0.177369000000      0.112866000000
  C                                                -1.641706000000     -0.341888000000     -0.237223000000
  N                                                -2.275754000000      0.831618000000     -0.845752000000
  C                                                -2.248939000000     -0.563784000000      1.149323000000
  H                                                -3.279530000000      0.704813000000     -0.898651000000
  H                                                -1.809734000000     -1.256656000000     -0.824262000000
  H                                                -2.083473000000      0.313962000000      1.775341000000
  H                                                -1.795695000000     -1.428876000000      1.633948000000
  H                                                -3.325560000000     -0.738248000000      1.075630000000
  H                                                 0.311141000000     -2.180305000000     -0.634440000000
  H                                                 2.752158000000     -1.903833000000     -0.402347000000
  H                                                 3.697081000000      0.302924000000      0.210779000000
  H                                                 2.179271000000      2.223269000000      0.586598000000
  H                                                -0.268537000000      1.933636000000      0.348722000000
  H                                                -1.932969000000      0.976467000000     -1.788479000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     20 NQM=       20 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          14          12           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  14.0030740  12.0000000   1.0078250
 NucSpn=           0           0           0           0           0           0           0           2           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   4.5500000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   7.0000000   6.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Aug 12 19:44:00 2021, MaxMem=  5368709120 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.772654    1.254975    0.322747
      2          6           0        0.398664    1.096214    0.195259
      3          6           0       -0.142652   -0.142756   -0.146542
      4          6           0        0.720678   -1.214760   -0.360157
      5          6           0        2.095925   -1.060117   -0.230036
      6          6           0        2.626396    0.177369    0.112866
      7          6           0       -1.641706   -0.341888   -0.237223
      8          7           0       -2.275754    0.831618   -0.845752
      9          6           0       -2.248939   -0.563784    1.149323
     10          1           0       -3.279530    0.704813   -0.898651
     11          1           0       -1.809734   -1.256656   -0.824262
     12          1           0       -2.083473    0.313962    1.775341
     13          1           0       -1.795695   -1.428876    1.633948
     14          1           0       -3.325560   -0.738248    1.075630
     15          1           0        0.311141   -2.180305   -0.634440
     16          1           0        2.752158   -1.903833   -0.402347
     17          1           0        3.697081    0.302924    0.210779
     18          1           0        2.179271    2.223269    0.586598
     19          1           0       -0.268537    1.933636    0.348722
     20          1           0       -1.932969    0.976467   -1.788479
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.388995   0.000000
     3  C    2.417081   1.394596   0.000000
     4  C    2.769946   2.398496   1.392897   0.000000
     5  C    2.402025   2.776929   2.420692   1.390018   0.000000
     6  C    1.390741   2.411194   2.799536   2.406976   1.389371
     7  C    3.810694   2.533434   1.514939   2.521483   3.806020
     8  N    4.234882   2.882052   2.447126   3.660884   4.803056
     9  C    4.490470   3.267359   2.508580   3.394249   4.585501
    10  H    5.226763   3.857324   3.335273   4.469497   5.697152
    11  H    4.522988   3.384146   2.116422   2.572962   3.955490
    12  H    4.226730   3.044599   2.769298   3.841953   4.834976
    13  H    4.653538   3.641582   2.748964   3.217831   4.330719
    14  H    5.525537   4.243837   3.461101   4.319790   5.585773
    15  H    3.854008   3.381070   2.143730   1.084080   2.145651
    16  H    3.385743   3.859579   3.398051   2.145580   1.082677
    17  H    2.149967   3.392507   3.881992   3.389441   2.148464
    18  H    1.082843   2.143353   3.395128   3.852776   3.384444
    19  H    2.151213   1.081658   2.138349   3.375419   3.858523
    20  H    4.273931   3.063669   2.674669   3.726046   4.775815
                    6          7          8          9         10
     6  C    0.000000
     7  C    4.313802   0.000000
     8  N    5.037665   1.466097   0.000000
     9  C    5.039091   1.529863   2.434787   0.000000
    10  H    6.015091   2.053177   1.013136   2.620239   0.000000
    11  H    4.755406   1.099840   2.139749   2.137290   2.452182
    12  H    4.996533   2.162339   2.678632   1.090741   2.955258
    13  H    4.944553   2.169455   3.389573   1.090264   3.628836
    14  H    6.098446   2.171647   2.694120   1.093152   2.445880
    15  H    3.387846   2.711304   3.975973   3.514109   4.613744
    16  H    2.147711   4.666152   5.741010   5.405033   6.590342
    17  H    1.082459   5.396215   6.088558   6.081710   7.075694
    18  H    2.147103   4.675316   4.882168   5.262449   5.857489
    19  H    3.394221   2.721568   2.582660   3.286345   3.483106
    20  H    5.004146   2.056524   1.013517   3.332100   1.636709
                   11         12         13         14         15
    11  H    0.000000
    12  H    3.049543   0.000000
    13  H    2.464275   1.772087   0.000000
    14  H    2.485169   1.771869   1.768947   0.000000
    15  H    2.321049   4.214569   3.185748   4.269597   0.000000
    16  H    4.626847   5.748414   5.005502   6.362520   2.467563
    17  H    5.816237   5.988554   5.932548   7.151887   4.283154
    18  H    5.478372   4.819704   5.498678   6.270000   4.936832
    19  H    3.732177   2.820032   3.910307   4.124651   4.269326
    20  H    2.435516   3.627999   4.185394   3.616998   4.041416
                   16         17         18         19         20
    16  H    0.000000
    17  H    2.477616   0.000000
    18  H    4.282427   2.476431   0.000000
    19  H    4.941141   4.290032   2.476335   0.000000
    20  H    5.671676   6.012334   4.909789   2.873001   0.000000
 Stoichiometry    C8H11N
 Framework group  C1[X(C8H11N)]
 Deg. of freedom    54
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.03D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.772654    1.254975    0.322747
      2          6           0        0.398664    1.096214    0.195259
      3          6           0       -0.142652   -0.142756   -0.146542
      4          6           0        0.720678   -1.214760   -0.360157
      5          6           0        2.095925   -1.060117   -0.230036
      6          6           0        2.626396    0.177369    0.112866
      7          6           0       -1.641706   -0.341888   -0.237223
      8          7           0       -2.275754    0.831618   -0.845752
      9          6           0       -2.248939   -0.563784    1.149323
     10          1           0       -3.279530    0.704813   -0.898651
     11          1           0       -1.809734   -1.256656   -0.824262
     12          1           0       -2.083473    0.313962    1.775341
     13          1           0       -1.795695   -1.428876    1.633948
     14          1           0       -3.325560   -0.738248    1.075630
     15          1           0        0.311141   -2.180305   -0.634440
     16          1           0        2.752158   -1.903833   -0.402347
     17          1           0        3.697081    0.302924    0.210779
     18          1           0        2.179271    2.223269    0.586598
     19          1           0       -0.268537    1.933636    0.348722
     20          1           0       -1.932969    0.976467   -1.788479
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           3.4441865           1.1140904           0.9851179
 Leave Link  202 at Thu Aug 12 19:44:00 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      10     11     12     13     14     15     16     17     18     19
 Centers:      20
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      9
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       8
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients=  7.0000000000D-04
     Exponent=  1.3570000000D+03 Coefficients=  5.3890000000D-03
     Exponent=  3.0930000000D+02 Coefficients=  2.7406000000D-02
     Exponent=  8.7730000000D+01 Coefficients=  1.0320700000D-01
     Exponent=  2.8560000000D+01 Coefficients=  2.7872300000D-01
     Exponent=  1.0210000000D+01 Coefficients=  4.4854000000D-01
     Exponent=  3.8380000000D+00 Coefficients=  2.7823800000D-01
     Exponent=  7.4660000000D-01 Coefficients=  1.5440000000D-02
     Exponent=  2.2480000000D-01 Coefficients= -2.8640000000D-03
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients= -1.5300000000D-04
     Exponent=  1.3570000000D+03 Coefficients= -1.2080000000D-03
     Exponent=  3.0930000000D+02 Coefficients= -5.9920000000D-03
     Exponent=  8.7730000000D+01 Coefficients= -2.4544000000D-02
     Exponent=  2.8560000000D+01 Coefficients= -6.7459000000D-02
     Exponent=  1.0210000000D+01 Coefficients= -1.5807800000D-01
     Exponent=  3.8380000000D+00 Coefficients= -1.2183100000D-01
     Exponent=  7.4660000000D-01 Coefficients=  5.4900300000D-01
     Exponent=  2.2480000000D-01 Coefficients=  5.7881500000D-01
 S 1 1.00
     Exponent=  2.2480000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.1240000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.3550000000D+01 Coefficients=  3.9919000000D-02
     Exponent=  2.9170000000D+00 Coefficients=  2.1716900000D-01
     Exponent=  7.9730000000D-01 Coefficients=  5.1031900000D-01
     Exponent=  2.1850000000D-01 Coefficients=  4.6221400000D-01
 P 1 1.00
     Exponent=  2.1850000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  5.6110000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.1700000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  2.3000000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  27 primitive shells out of 340 were deleted.
 There are   324 symmetry adapted cartesian basis functions of A   symmetry.
 There are   306 symmetry adapted basis functions of A   symmetry.
   306 basis functions,   555 primitive gaussians,   324 cartesian basis functions
    33 alpha electrons       33 beta electrons
       nuclear repulsion energy       425.7450469049 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   20 NActive=   20 NUniq=   20 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0346151683 Hartrees.
 Nuclear repulsion after empirical dispersion term =      425.7104317367 Hartrees.
 Leave Link  301 at Thu Aug 12 19:44:02 2021, MaxMem=  5368709120 cpu:              10.9 elap:               1.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   306 RedAO= T EigKep=  1.74D-06  NBF=   306
 NBsUse=   306 1.00D-06 EigRej= -1.00D+00 NBFU=   306
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   324   324   324   324   324 MxSgAt=    20 MxSgA2=    20.
 Leave Link  302 at Thu Aug 12 19:44:02 2021, MaxMem=  5368709120 cpu:               2.6 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 19:44:02 2021, MaxMem=  5368709120 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "22_phenylethanamine_conformer02_STD_B3LYPDBJ_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 19:44:03 2021, MaxMem=  5368709120 cpu:               2.3 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368493398 LenY=  5368387981
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 990000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -366.301026331069    
 DIIS: error= 1.92D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -366.301026331069     IErMin= 1 ErrMin= 1.92D-03
 ErrMax= 1.92D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.56D-03 BMatP= 4.56D-03
 IDIUse=3 WtCom= 9.81D-01 WtEn= 1.92D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.231 Goal=   None    Shift=    0.000
 GapD=    0.231 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=7.99D-02 MaxDP=4.44D+00              OVMax= 2.05D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  6.15D-02    CP:  2.02D+00
 E= -366.305324862148     Delta-E=       -0.004298531079 Rises=F Damp=F
 DIIS: error= 2.00D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -366.305324862148     IErMin= 2 ErrMin= 2.00D-04
 ErrMax= 2.00D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.14D-05 BMatP= 4.56D-03
 IDIUse=3 WtCom= 9.98D-01 WtEn= 2.00D-03
 Coeff-Com:  0.267D-02 0.997D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.266D-02 0.997D+00
 Gap=     0.229 Goal=   None    Shift=    0.000
 RMSDP=3.02D-03 MaxDP=1.77D-01 DE=-4.30D-03 OVMax= 3.05D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  7.16D-04    CP:  2.05D+00  1.04D+00
 E= -366.305336739149     Delta-E=       -0.000011877001 Rises=F Damp=F
 DIIS: error= 2.09D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -366.305336739149     IErMin= 2 ErrMin= 2.00D-04
 ErrMax= 2.09D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.78D-05 BMatP= 3.14D-05
 IDIUse=3 WtCom= 9.98D-01 WtEn= 2.09D-03
 Coeff-Com: -0.701D-02 0.484D+00 0.523D+00
 Coeff-En:   0.000D+00 0.392D+00 0.608D+00
 Coeff:     -0.699D-02 0.484D+00 0.523D+00
 Gap=     0.228 Goal=   None    Shift=    0.000
 RMSDP=2.49D-04 MaxDP=8.74D-03 DE=-1.19D-05 OVMax= 1.95D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.61D-04    CP:  2.06D+00  1.04D+00  9.46D-01
 E= -366.305364736156     Delta-E=       -0.000027997006 Rises=F Damp=F
 DIIS: error= 6.54D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -366.305364736156     IErMin= 4 ErrMin= 6.54D-05
 ErrMax= 6.54D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.01D-06 BMatP= 2.78D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.392D-02 0.139D+00 0.277D+00 0.587D+00
 Coeff:     -0.392D-02 0.139D+00 0.277D+00 0.587D+00
 Gap=     0.228 Goal=   None    Shift=    0.000
 RMSDP=6.83D-05 MaxDP=2.65D-03 DE=-2.80D-05 OVMax= 8.92D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  4.80D-05    CP:  2.06D+00  1.04D+00  9.68D-01  1.00D+00
 E= -366.305367300108     Delta-E=       -0.000002563953 Rises=F Damp=F
 DIIS: error= 3.18D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -366.305367300108     IErMin= 5 ErrMin= 3.18D-05
 ErrMax= 3.18D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.80D-07 BMatP= 3.01D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.141D-02 0.259D-01 0.115D+00 0.379D+00 0.481D+00
 Coeff:     -0.141D-02 0.259D-01 0.115D+00 0.379D+00 0.481D+00
 Gap=     0.228 Goal=   None    Shift=    0.000
 RMSDP=1.90D-05 MaxDP=8.05D-04 DE=-2.56D-06 OVMax= 3.40D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.28D-05    CP:  2.06D+00  1.04D+00  9.78D-01  1.00D+00  8.25D-01
 E= -366.305368082127     Delta-E=       -0.000000782019 Rises=F Damp=F
 DIIS: error= 4.10D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -366.305368082127     IErMin= 6 ErrMin= 4.10D-06
 ErrMax= 4.10D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.56D-08 BMatP= 6.80D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.233D-03-0.195D-02 0.236D-01 0.984D-01 0.195D+00 0.685D+00
 Coeff:     -0.233D-03-0.195D-02 0.236D-01 0.984D-01 0.195D+00 0.685D+00
 Gap=     0.228 Goal=   None    Shift=    0.000
 RMSDP=3.47D-06 MaxDP=1.50D-04 DE=-7.82D-07 OVMax= 4.52D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.47D-06    CP:  2.06D+00  1.04D+00  9.80D-01  1.01D+00  8.52D-01
                    CP:  1.00D+00
 E= -366.305368097920     Delta-E=       -0.000000015793 Rises=F Damp=F
 DIIS: error= 1.27D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -366.305368097920     IErMin= 7 ErrMin= 1.27D-06
 ErrMax= 1.27D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.80D-09 BMatP= 1.56D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.569D-04-0.230D-02 0.516D-02 0.267D-01 0.704D-01 0.334D+00
 Coeff-Com:  0.566D+00
 Coeff:     -0.569D-04-0.230D-02 0.516D-02 0.267D-01 0.704D-01 0.334D+00
 Coeff:      0.566D+00
 Gap=     0.228 Goal=   None    Shift=    0.000
 RMSDP=9.45D-07 MaxDP=5.81D-05 DE=-1.58D-08 OVMax= 1.02D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  5.83D-07    CP:  2.06D+00  1.04D+00  9.81D-01  1.01D+00  8.50D-01
                    CP:  1.01D+00  9.72D-01
 E= -366.305368099394     Delta-E=       -0.000000001474 Rises=F Damp=F
 DIIS: error= 3.51D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -366.305368099394     IErMin= 8 ErrMin= 3.51D-07
 ErrMax= 3.51D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.88D-10 BMatP= 1.80D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.183D-04-0.774D-03-0.107D-02-0.166D-02 0.516D-02 0.506D-01
 Coeff-Com:  0.264D+00 0.684D+00
 Coeff:      0.183D-04-0.774D-03-0.107D-02-0.166D-02 0.516D-02 0.506D-01
 Coeff:      0.264D+00 0.684D+00
 Gap=     0.228 Goal=   None    Shift=    0.000
 RMSDP=6.17D-07 MaxDP=3.36D-05 DE=-1.47D-09 OVMax= 4.47D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  3.11D-07    CP:  2.06D+00  1.04D+00  9.81D-01  1.01D+00  8.52D-01
                    CP:  1.02D+00  9.77D-01  9.64D-01
 E= -366.305368099599     Delta-E=       -0.000000000205 Rises=F Damp=F
 DIIS: error= 7.93D-08 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -366.305368099599     IErMin= 9 ErrMin= 7.93D-08
 ErrMax= 7.93D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.51D-12 BMatP= 1.88D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.894D-05-0.258D-03-0.661D-03-0.169D-02-0.270D-03 0.104D-01
 Coeff-Com:  0.883D-01 0.295D+00 0.609D+00
 Coeff:      0.894D-05-0.258D-03-0.661D-03-0.169D-02-0.270D-03 0.104D-01
 Coeff:      0.883D-01 0.295D+00 0.609D+00
 Gap=     0.228 Goal=   None    Shift=    0.000
 RMSDP=8.59D-08 MaxDP=4.84D-06 DE=-2.05D-10 OVMax= 7.49D-07

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  5.07D-08    CP:  2.06D+00  1.04D+00  9.81D-01  1.01D+00  8.52D-01
                    CP:  1.02D+00  9.84D-01  9.70D-01  9.77D-01
 E= -366.305368099618     Delta-E=       -0.000000000020 Rises=F Damp=F
 DIIS: error= 2.60D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -366.305368099618     IErMin=10 ErrMin= 2.60D-08
 ErrMax= 2.60D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.28D-13 BMatP= 7.51D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.192D-05-0.331D-04-0.157D-03-0.512D-03-0.517D-03-0.128D-06
 Coeff-Com:  0.979D-02 0.596D-01 0.269D+00 0.663D+00
 Coeff:      0.192D-05-0.331D-04-0.157D-03-0.512D-03-0.517D-03-0.128D-06
 Coeff:      0.979D-02 0.596D-01 0.269D+00 0.663D+00
 Gap=     0.228 Goal=   None    Shift=    0.000
 RMSDP=2.75D-08 MaxDP=1.42D-06 DE=-1.96D-11 OVMax= 3.79D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.80D-08    CP:  2.06D+00  1.04D+00  9.81D-01  1.01D+00  8.52D-01
                    CP:  1.02D+00  9.85D-01  9.82D-01  9.77D-01  8.19D-01
 E= -366.305368099572     Delta-E=        0.000000000046 Rises=F Damp=F
 DIIS: error= 1.18D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -366.305368099618     IErMin=11 ErrMin= 1.18D-08
 ErrMax= 1.18D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.37D-13 BMatP= 7.28D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.299D-06 0.359D-05-0.302D-04-0.148D-03-0.284D-03-0.919D-03
 Coeff-Com: -0.298D-02 0.616D-02 0.965D-01 0.374D+00 0.528D+00
 Coeff:      0.299D-06 0.359D-05-0.302D-04-0.148D-03-0.284D-03-0.919D-03
 Coeff:     -0.298D-02 0.616D-02 0.965D-01 0.374D+00 0.528D+00
 Gap=     0.228 Goal=   None    Shift=    0.000
 RMSDP=8.98D-09 MaxDP=3.99D-07 DE= 4.62D-11 OVMax= 1.79D-07

 SCF Done:  E(RB3LYP) =  -366.305368100     A.U. after   11 cycles
            NFock= 11  Conv=0.90D-08     -V/T= 2.0061
 KE= 3.640880167503D+02 PE=-1.700835570531D+03 EE= 5.447317539448D+02
 Leave Link  502 at Thu Aug 12 19:45:34 2021, MaxMem=  5368709120 cpu:             726.8 elap:              91.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   306
 NBasis=   306 NAE=    33 NBE=    33 NFC=     0 NFV=     0
 NROrb=    306 NOA=    33 NOB=    33 NVA=   273 NVB=   273

 **** Warning!!: The largest alpha MO coefficient is  0.11704629D+03

 Leave Link  801 at Thu Aug 12 19:45:34 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         6185 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          20
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.50D-13 8.33D-09 XBig12= 1.00D+00 4.35D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.50D-13 8.33D-09 XBig12= 4.33D-01 9.50D-02.
     11 vectors produced by pass  2 Test12= 1.50D-13 8.33D-09 XBig12= 5.93D-02 5.61D-02.
     11 vectors produced by pass  3 Test12= 1.50D-13 8.33D-09 XBig12= 3.50D-03 1.54D-02.
     11 vectors produced by pass  4 Test12= 1.50D-13 8.33D-09 XBig12= 6.41D-04 8.51D-03.
     11 vectors produced by pass  5 Test12= 1.50D-13 8.33D-09 XBig12= 1.79D-05 6.65D-04.
     11 vectors produced by pass  6 Test12= 1.50D-13 8.33D-09 XBig12= 3.38D-07 9.51D-05.
     11 vectors produced by pass  7 Test12= 1.50D-13 8.33D-09 XBig12= 3.79D-09 7.29D-06.
     10 vectors produced by pass  8 Test12= 1.50D-13 8.33D-09 XBig12= 4.40D-11 7.77D-07.
      7 vectors produced by pass  9 Test12= 1.50D-13 8.33D-09 XBig12= 6.33D-13 1.76D-07.
      1 vectors produced by pass 10 Test12= 1.50D-13 8.33D-09 XBig12= 9.70D-15 1.40D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 3.55D-14
 Solved reduced A of dimension   106 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.139032D+03
      2  0.222574D+00  0.111016D+03
      3  0.128387D+01  0.587631D+01  0.807927D+02
 Isotropic polarizability for W=    0.085645      110.28 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.677276D+02  0.555887D+01  0.315439D+01
      2  -0.172697D+02 -0.704741D+01 -0.673518D+01
      3  -0.504579D+02  0.148854D+01  0.358079D+01
      4  -0.587530D+01  0.631453D+02  0.362340D+02
      5   0.193925D+02  0.374779D+02 -0.364881D+02
      6   0.155784D+02  0.427413D+01 -0.365913D+01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.213235D+01  0.169137D+01  0.290051D-01
      2   0.446325D+01  0.145949D+02 -0.130724D+02
      3  -0.388552D+01 -0.326917D+02 -0.131665D+02
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.124385D+01  0.110093D+02  0.514767D+01
      2  -0.162381D+02  0.206556D+02  0.139698D+02
      3  -0.114342D+02 -0.804150D+02 -0.218994D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.102514D+01 -0.219226D+01  0.178315D+00
      2  -0.219226D+01 -0.248553D+01  0.313537D+01
      3   0.178315D+00  0.313537D+01  0.756392D+00
 OR G Eigenvalues:    -5.0441     1.1032     3.2369  Iso=     0.2347
 Eigenvectors:
   (1)   0.313730   0.831227  -0.458951
   (2)   0.809068   0.018964   0.587409
   (3)  -0.496974   0.555610   0.666569
 w=    0.085645 a.u., Optical Rotation Beta=      0.2347 au.
 Molar Mass =    121.1816 grams/mole, [Alpha] ( 5320.0 A) =       91.84 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   46971 ScalPx= 2.03D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   46971 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 2.93D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.50D-14 2.78D-09 XBig12= 1.00D+00 4.79D-01.
     30 vectors produced by pass  1 Test12= 2.50D-14 2.78D-09 XBig12= 4.09D-02 3.63D-02.
     30 vectors produced by pass  2 Test12= 2.50D-14 2.78D-09 XBig12= 7.99D-04 4.20D-03.
     30 vectors produced by pass  3 Test12= 2.50D-14 2.78D-09 XBig12= 8.86D-06 4.08D-04.
     30 vectors produced by pass  4 Test12= 2.50D-14 2.78D-09 XBig12= 7.11D-08 5.31D-05.
     30 vectors produced by pass  5 Test12= 2.50D-14 2.78D-09 XBig12= 2.81D-10 2.45D-06.
     30 vectors produced by pass  6 Test12= 2.50D-14 2.78D-09 XBig12= 4.71D-13 9.57D-08.
      6 vectors produced by pass  7 Test12= 2.50D-14 2.78D-09 XBig12= 3.54D-15 1.39D-08.
      1 vectors produced by pass  8 Test12= 2.50D-14 2.78D-09 XBig12= 8.38D-16 2.84D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-15
 Solved reduced A of dimension   217 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   46971 ScalPx= 8.74D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   46971 ScalPx= 8.74D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   46971 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 9.80D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.139032D+03  0.222574D+00  0.128387D+01
      2   0.222574D+00  0.111016D+03  0.587631D+01
      3   0.128387D+01  0.587631D+01  0.807927D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.213235D+01  0.169137D+01  0.290051D-01
      2   0.446325D+01  0.145949D+02 -0.130724D+02
      3  -0.388552D+01 -0.326917D+02 -0.131665D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.677276D+02  0.555887D+01  0.315439D+01
      2  -0.172697D+02 -0.704741D+01 -0.673518D+01
      3  -0.504579D+02  0.148854D+01  0.358079D+01
      4  -0.587530D+01  0.631453D+02  0.362340D+02
      5   0.193925D+02  0.374779D+02 -0.364881D+02
      6   0.155784D+02  0.427413D+01 -0.365913D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.496773D+01 -0.104827D+01 -0.226418D+00  0.569948D+01  0.455291D+00
      2  -0.104827D+01  0.278510D+01 -0.179961D+00  0.455291D+00  0.124427D+01
      3  -0.226418D+00 -0.179961D+00  0.935089D+00 -0.480198D+00 -0.136309D+01
                 6             7             8             9            10 
      1  -0.480198D+00  0.862630D+00 -0.826216D+00  0.206287D+01  0.453031D+01
      2  -0.136309D+01 -0.826216D+00 -0.148339D+01  0.370263D+01 -0.443968D+00
      3   0.223008D+01  0.206287D+01  0.370263D+01  0.299237D+01  0.183876D+00
                11            12            13            14            15 
      1  -0.443968D+00  0.183876D+00  0.927671D+01  0.156238D+00  0.173785D+00
      2  -0.395975D+01 -0.728613D+00  0.156238D+00  0.187982D+01 -0.932484D+00
      3  -0.728613D+00 -0.217444D+01  0.173785D+00 -0.932484D+00  0.174524D+01
                16            17            18            19            20 
      1   0.307220D+01 -0.820826D-01 -0.183171D+01 -0.194128D+02 -0.258993D+01
      2  -0.820826D-01 -0.167303D+01  0.299758D+01 -0.258993D+01 -0.242896D+01
      3  -0.183171D+01  0.299758D+01  0.148585D+01  0.639452D+00  0.344087D+00
                21            22            23            24            25 
      1   0.639452D+00 -0.300209D+01  0.113591D+01  0.163996D+01 -0.455334D+00
      2   0.344087D+00  0.113591D+01 -0.616931D+00 -0.316641D+00  0.150452D+01
      3  -0.256409D+01  0.163996D+01 -0.316641D+00  0.867570D-01 -0.418939D+01
                26            27            28            29            30 
      1   0.150452D+01 -0.418939D+01  0.616481D+01  0.276595D+01  0.729537D+00
      2  -0.667053D+00 -0.574661D+00  0.276595D+01 -0.281150D+01 -0.263600D+00
      3  -0.574661D+00 -0.842030D+00  0.729537D+00 -0.263600D+00 -0.134488D+01
                31            32            33            34            35 
      1  -0.787143D+01 -0.635708D+00  0.367574D+00 -0.115633D+01  0.117861D+01
      2  -0.635708D+00 -0.206446D+01  0.129867D+01  0.117861D+01  0.123364D+01
      3   0.367574D+00  0.129867D+01 -0.191639D+01 -0.947568D+00 -0.332748D+01
                36            37            38            39            40 
      1  -0.947568D+00 -0.344104D+01 -0.695773D+00 -0.383760D+00 -0.662269D+01
      2  -0.332748D+01 -0.695773D+00  0.312267D+01  0.951975D+00 -0.750269D+00
      3  -0.318204D+01 -0.383760D+00  0.951975D+00  0.209888D+01 -0.100601D+01
                41            42            43            44            45 
      1  -0.750269D+00 -0.100601D+01 -0.195374D+01 -0.821567D+00  0.312243D+01
      2  -0.914804D+00  0.157885D+01 -0.821567D+00  0.209573D+01 -0.310752D+01
      3   0.157885D+01 -0.209774D+01  0.312243D+01 -0.310752D+01 -0.184306D+01
                46            47            48            49            50 
      1   0.658494D+01  0.556609D+00 -0.480143D+00  0.133732D+01 -0.888095D+00
      2   0.556609D+00  0.359149D+01  0.286457D-01 -0.888095D+00  0.205755D+00
      3  -0.480143D+00  0.286457D-01  0.334181D+01 -0.159863D+01 -0.691759D+00
                51            52            53            54            55 
      1  -0.159863D+01 -0.231685D-02 -0.159606D+01  0.547743D+01  0.515895D+01
      2  -0.691759D+00 -0.159606D+01  0.290584D-01  0.420104D+00  0.651497D+00
      3   0.110431D+00  0.547743D+01  0.420104D+00  0.105197D+01 -0.139201D+01
                56            57            58            59            60 
      1   0.651497D+00 -0.139201D+01  0.451660D+00  0.247196D+01 -0.306257D+01
      2   0.125585D+01 -0.137381D+01  0.247196D+01  0.619130D+01  0.405231D+01
      3  -0.137381D+01  0.302888D+01 -0.306257D+01  0.405231D+01  0.909399D+00
                61            62            63            64            65 
      1  -0.689171D+01 -0.241324D+01  0.538864D+01  0.801119D+01  0.119286D+01
      2  -0.241324D+01  0.386393D+01  0.314995D+01  0.119286D+01 -0.945242D+00
      3   0.538864D+01  0.314995D+01 -0.270765D+01  0.150610D+01  0.645333D+00
                66            67            68            69            70 
      1   0.150610D+01  0.319112D+01 -0.183817D+01  0.148039D+01  0.130058D+01
      2   0.645333D+00 -0.183817D+01  0.736671D-01 -0.182204D+01  0.533638D+00
      3  -0.207349D+01  0.148039D+01 -0.182204D+01 -0.121164D+01 -0.188063D+01
                71            72            73            74            75 
      1   0.533638D+00 -0.188063D+01  0.101364D+02  0.231299D+01 -0.334930D+00
      2  -0.426133D+00 -0.166748D+01  0.231299D+01 -0.223790D+01  0.123639D+01
      3  -0.166748D+01  0.565462D+01 -0.334930D+00  0.123639D+01 -0.328314D+01
                76            77            78            79            80 
      1   0.167247D+01 -0.195353D+01  0.186461D+01  0.680468D+01  0.214275D+01
      2  -0.195353D+01  0.330396D+00 -0.463425D+01  0.214275D+01 -0.262765D+01
      3   0.186461D+01 -0.463425D+01 -0.124376D+01 -0.478189D+01 -0.195980D+01
                81            82            83            84            85 
      1  -0.478189D+01 -0.139603D+02  0.107419D+01 -0.290600D+01  0.171621D+00
      2  -0.195980D+01  0.107419D+01 -0.798929D+00  0.528234D+00 -0.536395D+00
      3   0.208140D+01 -0.290600D+01  0.528234D+00 -0.187359D+01  0.269664D+00
                86            87            88            89            90 
      1  -0.536395D+00  0.269664D+00 -0.148665D+00  0.237005D+00 -0.897275D+00
      2   0.761962D+00  0.116888D+00  0.237005D+00  0.546453D+00  0.237129D+00
      3   0.116888D+00  0.662585D-01 -0.897275D+00  0.237129D+00 -0.493834D+00
                91            92            93            94            95 
      1   0.249333D-01 -0.131175D+01 -0.401833D+00 -0.274609D+01 -0.150843D+01
      2  -0.131175D+01 -0.144573D+01 -0.288275D+00 -0.150843D+01 -0.730056D+01
      3  -0.401833D+00 -0.288275D+00 -0.942990D+00 -0.311430D+00 -0.214818D+01
                96            97            98            99           100 
      1  -0.311430D+00 -0.448843D+00 -0.307502D+00 -0.118067D+01 -0.458306D+00
      2  -0.214818D+01 -0.307502D+00 -0.339343D+01 -0.220835D+01  0.486576D+00
      3  -0.196102D+01 -0.118067D+01 -0.220835D+01 -0.164566D+01  0.388410D+00
               101           102           103           104           105 
      1   0.486576D+00  0.388410D+00  0.167688D+01 -0.347471D-01 -0.799813D+00
      2   0.374896D+00  0.404710D-01 -0.347471D-01  0.321704D+01  0.232512D+01
      3   0.404710D-01  0.826720D+00 -0.799813D+00  0.232512D+01  0.350086D+01
               106           107           108           109           110 
      1   0.703273D+00 -0.201920D+00 -0.828665D-01  0.108802D+00 -0.106924D+01
      2  -0.201920D+00  0.192751D+01  0.161016D+01 -0.106924D+01  0.145579D+01
      3  -0.828665D-01  0.161016D+01  0.364199D+01  0.601302D+00 -0.102923D+01
               111           112           113           114           115 
      1   0.601302D+00 -0.149694D+01  0.549152D+00 -0.243653D+00  0.220782D+00
      2  -0.102923D+01  0.549152D+00 -0.453519D+01  0.287662D+01 -0.426105D+00
      3   0.168790D+01 -0.243653D+00  0.287662D+01 -0.259517D+01  0.470862D+00
               116           117           118           119           120 
      1  -0.426105D+00  0.470862D+00 -0.147954D+02 -0.235181D+01  0.216382D+01
      2   0.185778D+01 -0.168934D+01 -0.235181D+01 -0.123539D+01  0.413513D+00
      3  -0.168934D+01  0.256861D+01  0.216382D+01  0.413513D+00 -0.158686D+01
               121           122           123           124           125 
      1  -0.229581D+01 -0.162755D+01  0.223566D+00 -0.124112D+01 -0.305041D+00
      2  -0.162755D+01 -0.897987D+00  0.655816D+00 -0.305041D+00  0.123426D-01
      3   0.223566D+00  0.655816D+00 -0.241459D+00 -0.750407D+00 -0.402127D-01
               126           127           128           129           130 
      1  -0.750407D+00 -0.164411D+01 -0.168134D+01 -0.555305D+00 -0.150314D+01
      2  -0.402127D-01 -0.168134D+01 -0.211857D+01 -0.650343D+00 -0.201249D+01
      3  -0.310164D-01 -0.555305D+00 -0.650343D+00 -0.326166D+00 -0.555220D+00
               131           132           133           134           135 
      1  -0.201249D+01 -0.555220D+00 -0.648592D+00 -0.723437D+00 -0.132924D+00
      2  -0.796940D+01 -0.215393D+01 -0.723437D+00 -0.226666D+01 -0.662652D+00
      3  -0.215393D+01 -0.126516D+01 -0.132924D+00 -0.662652D+00 -0.359263D+00
               136           137           138           139           140 
      1   0.499343D+01 -0.395795D+01 -0.752068D+00 -0.380246D+01  0.456350D+01
      2  -0.395795D+01  0.356157D+01  0.587855D+00  0.456350D+01 -0.653362D+01
      3  -0.752068D+00  0.587855D+00  0.543547D+00  0.995656D+00 -0.129595D+01
               141           142           143           144           145 
      1   0.995656D+00 -0.740023D+00  0.856786D+00  0.194187D+00  0.135806D+02
      2  -0.129595D+01  0.856786D+00 -0.152969D+01 -0.258091D+00  0.123554D+01
      3  -0.852428D+00  0.194187D+00 -0.258091D+00 -0.185413D+00  0.105170D+01
               146           147           148           149           150 
      1   0.123554D+01  0.105170D+01  0.115469D+01  0.167260D+01  0.520925D+00
      2   0.801319D+00  0.901000D-01  0.167260D+01  0.450045D+00  0.160195D+00
      3   0.901000D-01  0.790130D+00  0.520925D+00  0.160195D+00  0.125747D+00
               151           152           153           154           155 
      1   0.103188D+01  0.488165D+00  0.845570D-02  0.236003D+01  0.269138D+01
      2   0.488165D+00  0.118622D+00  0.178169D-01  0.269138D+01  0.285742D+01
      3   0.845570D-02  0.178169D-01  0.148308D+00  0.775405D+00  0.766358D+00
               156           157           158           159           160 
      1   0.775405D+00  0.236182D+01  0.390093D+01  0.103960D+01  0.842072D+00
      2   0.766358D+00  0.390093D+01  0.925953D+01  0.227839D+01  0.115313D+01
      3   0.488386D+00  0.103960D+01  0.227839D+01  0.128167D+01  0.304356D+00
               161           162           163           164           165 
      1   0.115313D+01  0.304356D+00 -0.366444D+01  0.215614D+01  0.782921D-01
      2   0.241891D+01  0.555564D+00  0.215614D+01 -0.250746D+01 -0.336209D+00
      3   0.555564D+00  0.318958D+00  0.782921D-01 -0.336209D+00 -0.368249D+00
               166           167           168           169           170 
      1   0.241587D+01 -0.273391D+01 -0.520995D+00  0.221205D+00 -0.514274D+00
      2  -0.273391D+01  0.559758D+01  0.921625D+00 -0.514274D+00  0.116066D+01
      3  -0.520995D+00  0.921625D+00  0.790943D+00 -0.615001D-01  0.249591D+00
               171           172           173           174           175 
      1  -0.615001D-01  0.689844D+00  0.262832D-01 -0.685433D+00 -0.689825D-01
      2   0.249591D+00  0.262832D-01  0.683322D+00 -0.782922D+00 -0.386279D+00
      3   0.253623D+00 -0.685433D+00 -0.782922D+00  0.279657D+01  0.279459D-02
               176           177           178           179           180 
      1  -0.386279D+00  0.279459D-02 -0.137262D+01  0.122850D+00 -0.292398D+00
      2   0.162160D+01 -0.906168D+00  0.122850D+00 -0.119760D+01  0.255506D+01
      3  -0.906168D+00  0.253737D+01 -0.292398D+00  0.255506D+01 -0.890774D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.282144D-01  0.130635D+01 -0.256269D+01  0.175554D+01  0.267540D+00
      2  -0.102870D+01  0.311191D+01  0.176463D+00  0.142861D+01 -0.383730D+01
      3   0.364023D+01 -0.133533D+02 -0.278390D+01  0.321232D+01 -0.141575D+01
                 6             7             8             9            10 
      1  -0.390929D+01 -0.506387D+01  0.873497D+00 -0.143863D+01 -0.582307D+00
      2   0.584901D+01 -0.884320D+01  0.882486D+01  0.505919D+01  0.180568D+01
      3   0.233829D+01 -0.798464D+00  0.314315D+01 -0.463186D+01  0.134815D+00
                11            12            13            14            15 
      1  -0.499557D+00  0.362078D+01 -0.792105D+00  0.318422D+00 -0.251386D+01
      2   0.278070D+00 -0.170512D+01  0.487346D+01  0.935176D+00  0.612802D+00
      3   0.154046D+01  0.150787D+01  0.200613D+01 -0.735011D+01  0.891770D+00
                16            17            18            19            20 
      1   0.707122D+01  0.298616D+01  0.389214D+00 -0.126639D+01 -0.487711D+00
      2  -0.122657D+02 -0.911577D-01  0.634996D+00 -0.427888D+01 -0.133634D+01
      3  -0.129697D+01  0.202806D+00 -0.605835D+01  0.656373D+00  0.838957D+01
                21            22            23            24            25 
      1   0.336526D-01 -0.105329D+01 -0.418006D+01  0.107338D+01 -0.216585D+00
      2  -0.177508D+01 -0.170388D+01  0.686692D+00  0.186763D+00 -0.158066D+02
      3   0.122666D+01  0.189242D+02  0.232131D+01 -0.216819D+01 -0.120221D+00
                26            27            28            29            30 
      1   0.101622D+02  0.279438D+01  0.307855D+00  0.182510D+01 -0.278438D+01
      2   0.536818D+00  0.211272D-01  0.415533D+01  0.143083D+01 -0.136133D+01
      3  -0.110153D+01  0.174610D+00 -0.560536D+01 -0.193116D+01 -0.242824D+01
                31            32            33            34            35 
      1   0.108248D+01  0.103581D+01 -0.309493D+01 -0.543026D+01  0.119290D+01
      2   0.203880D+01 -0.718867D+00 -0.128311D+01 -0.143381D+02 -0.147827D+01
      3   0.304667D+01  0.659507D+01  0.103628D+00 -0.275610D+01 -0.832868D+00
                36            37            38            39            40 
      1  -0.100669D+01 -0.631666D+00 -0.147077D+01  0.372594D+01 -0.173311D+01
      2  -0.289676D+01 -0.129078D+01  0.222475D+01  0.289274D+01 -0.117599D+01
      3   0.539347D+01  0.344821D+01 -0.114640D+02 -0.231160D+01  0.708885D+01
                41            42            43            44            45 
      1  -0.319272D+00 -0.245970D+01  0.723323D+01  0.335737D+01  0.135077D+01
      2   0.426826D+01 -0.678544D+01 -0.404836D+01 -0.988504D+01 -0.516819D+01
      3   0.214610D+01 -0.290930D+01 -0.719856D-01 -0.393563D+01  0.391834D+01
                46            47            48            49            50 
      1   0.466921D+00 -0.450518D+00 -0.122731D+01 -0.920140D+00 -0.309729D+01
      2   0.402420D+00 -0.646987D+00  0.958861D+01 -0.557408D+01 -0.216524D+00
      3  -0.270793D+01 -0.785793D+01  0.407776D+00  0.125133D+02 -0.179724D+01
                51            52            53            54            55 
      1   0.273837D+01 -0.219647D+01  0.113420D+02  0.337282D+01 -0.104478D+01
      2   0.118307D+01  0.849434D+01  0.212971D+01  0.269664D+01  0.402656D+01
      3   0.157175D+01  0.478677D+01  0.102236D+01 -0.413164D+00 -0.108786D+01
                56            57            58            59            60 
      1  -0.982909D+00 -0.120259D+01  0.346544D+01  0.418356D+01  0.144302D+01
      2   0.155859D+01 -0.429612D+01  0.299217D+01 -0.850014D+01 -0.221470D+01
      3   0.637525D+00  0.784257D+00  0.844040D+01  0.758502D+01  0.872588D+01
                61            62            63            64            65 
      1   0.323260D+01  0.357524D+01 -0.195892D+01 -0.270806D+01  0.281645D+01
      2  -0.169980D+02 -0.769647D+01  0.431573D+01  0.274024D+01 -0.165148D+01
      3  -0.394856D-01  0.138896D+02  0.446655D+01  0.184902D+02 -0.857878D+01
                66            67            68            69            70 
      1   0.328243D+01  0.512518D-01 -0.268255D+01 -0.144354D+01 -0.102211D+01
      2   0.105897D+02  0.516799D+00  0.259778D+01  0.342157D+01  0.133270D+01
      3   0.564870D+01  0.293456D+01  0.230229D+01 -0.447954D+01  0.229446D+01
                71            72            73            74            75 
      1   0.754264D+01 -0.830938D+01  0.404495D+01 -0.327353D+01 -0.102211D+00
      2   0.590320D+01 -0.150988D+02 -0.141510D+02 -0.624450D+01  0.122511D+02
      3  -0.184054D+01 -0.654016D+01  0.203779D+00 -0.105270D+02  0.209395D+01
                76            77            78            79            80 
      1  -0.579647D+00 -0.132742D+01 -0.120831D+02 -0.154486D+01 -0.619044D+01
      2  -0.622717D+01  0.148010D+02  0.184410D+01  0.880439D+01  0.367907D+01
      3  -0.281923D+01  0.284616D+01 -0.156505D+02  0.803273D+00 -0.130958D+02
                81            82            83            84            85 
      1  -0.928947D+00  0.264655D+01  0.991344D+00  0.148836D+01 -0.522551D+00
      2   0.834852D-01 -0.458162D+01 -0.203712D+00  0.561842D+01 -0.123302D+01
      3  -0.184168D+01 -0.129813D+02 -0.475576D+01 -0.228868D+01 -0.108447D+01
                86            87            88            89            90 
      1  -0.405391D+00 -0.642328D+00 -0.153029D+00  0.125255D+00 -0.413928D-02
      2  -0.627871D+00  0.826769D+00  0.662176D+00  0.162803D-01  0.910246D+00
      3   0.127668D+01  0.107114D+01 -0.832941D-02  0.761438D+00 -0.123474D+00
                91            92            93            94            95 
      1  -0.921630D+00 -0.211179D+00 -0.881743D+00 -0.127663D+01 -0.309177D+00
      2   0.108538D+01  0.429130D+00  0.277859D+01 -0.745933D+00  0.415044D+01
      3  -0.329045D+01 -0.291127D+01 -0.476915D+00  0.389663D+01 -0.135220D+02
                96            97            98            99           100 
      1  -0.503633D+01 -0.101797D+01  0.286758D+00 -0.236317D+01  0.161800D+01
      2   0.372201D+01  0.163357D+00  0.332748D+01  0.276963D+01 -0.167695D+01
      3  -0.389951D+01  0.151532D+01 -0.681119D+01 -0.321119D+01  0.236874D+01
               101           102           103           104           105 
      1   0.137119D+01  0.307894D+00  0.495808D+00  0.808017D+01  0.388109D+01
      2  -0.106747D+01 -0.197154D+01 -0.170022D+01 -0.681095D+01 -0.814392D+01
      3   0.106286D+01  0.111798D+00  0.185245D+01  0.917983D+01  0.698902D+01
               106           107           108           109           110 
      1  -0.369135D+00  0.607501D+01  0.457313D+01 -0.175547D+01  0.230072D+01
      2  -0.242161D+01 -0.422260D+01 -0.851800D+01 -0.332218D+01  0.356480D+01
      3  -0.289845D+00  0.559695D+01  0.479673D+01 -0.434835D+01  0.440320D+01
               111           112           113           114           115 
      1   0.489078D+00  0.126758D+01 -0.538052D+01  0.220606D+00  0.355054D+00
      2  -0.364107D+01  0.399887D+01 -0.836800D+01  0.639877D+01 -0.350778D+01
      3  -0.248334D+01  0.557402D+01 -0.115621D+02  0.745145D+01 -0.154690D+01
               116           117           118           119           120 
      1   0.358158D+01 -0.405792D-01 -0.132355D+01 -0.210647D+01 -0.144827D+01
      2   0.473711D+01 -0.635693D+01  0.106884D+02  0.128115D+01  0.665875D+01
      3   0.518312D+01 -0.500455D+01  0.359935D+01 -0.581300D+01  0.115875D+00
               121           122           123           124           125 
      1  -0.178400D+01 -0.534553D+00 -0.997143D-01 -0.958474D+00  0.105335D+01
      2   0.197128D+01 -0.420050D+00  0.104644D+01  0.132999D+01  0.143634D-01
      3  -0.185766D+01 -0.168916D+01  0.185633D+01 -0.804608D-01  0.142392D+01
               126           127           128           129           130 
      1  -0.259291D+00  0.125432D+00  0.357085D+00 -0.142093D+01  0.109083D+00
      2   0.648197D+00 -0.186440D+01 -0.113103D+01  0.124662D+00 -0.178536D+01
      3   0.772765D+00  0.666568D+01  0.326977D+01  0.137597D+01  0.701941D+01
               131           132           133           134           135 
      1   0.860625D+00 -0.390106D+01  0.667557D+00  0.231206D+01 -0.567295D+00
      2  -0.237340D+01  0.119125D+00 -0.203563D+01 -0.675040D+00  0.125949D+00
      3   0.844095D+01  0.268008D+01  0.248891D+01  0.241566D+01  0.476469D+00
               136           137           138           139           140 
      1   0.200613D+00 -0.617198D+00  0.217761D+01  0.294731D+00  0.259778D+00
      2   0.163045D-01  0.126974D+00  0.278973D+01  0.966740D+00 -0.184317D+01
      3   0.163590D+01 -0.506456D+01 -0.370329D+00 -0.355356D+01  0.109770D+02
               141           142           143           144           145 
      1  -0.327163D+01 -0.100454D+01  0.168043D+01 -0.416791D+00 -0.170372D+00
      2  -0.327551D+01 -0.783303D+00  0.511340D+00 -0.486925D+00  0.127934D+01
      3   0.173420D+01 -0.112409D+01  0.267334D+01  0.317567D+00 -0.505595D+00
               146           147           148           149           150 
      1   0.387664D+00 -0.559357D+00  0.218688D-01  0.387328D-01 -0.475045D+00
      2   0.108720D-01  0.595544D+01  0.184768D+01  0.387779D+00  0.830155D+00
      3  -0.533689D+01  0.693530D-01 -0.390250D+01 -0.120767D+01 -0.430532D+00
               151           152           153           154           155 
      1   0.393954D+00  0.521537D+00 -0.655458D-01 -0.244132D+00  0.131297D+00
      2  -0.283405D+01 -0.194121D+00  0.423022D+00  0.327926D+00  0.679871D+00
      3  -0.153184D+01 -0.780792D+00 -0.161146D-01 -0.768620D+00 -0.276220D+01
               156           157           158           159           160 
      1  -0.163206D+01 -0.260464D+00  0.476748D+00 -0.429183D+01  0.552450D+00
      2   0.170223D+01  0.657527D+00  0.328377D+01  0.331164D+01 -0.558628D+00
      3  -0.502399D+00 -0.143475D+01 -0.134397D+02 -0.301239D+01 -0.379610D+00
               161           162           163           164           165 
      1   0.203245D+01 -0.641423D+00  0.103536D+01 -0.848377D+00  0.215117D+01
      2   0.183259D+00  0.777685D+00  0.246398D+01 -0.937334D+00  0.626307D+00
      3  -0.361222D+01 -0.742041D+00 -0.107317D+02  0.378713D+01 -0.263171D+00
               166           167           168           169           170 
      1  -0.144174D+00  0.257644D-01 -0.309430D+01 -0.205071D+00  0.201314D+01
      2  -0.106002D+01  0.132107D+01 -0.115289D+01 -0.168802D+01  0.504179D+00
      3   0.717980D+01 -0.485283D+01 -0.119895D+01 -0.138764D+00 -0.137241D+01
               171           172           173           174           175 
      1  -0.274373D+00  0.174455D+00 -0.538973D+00 -0.345537D+01 -0.117663D+00
      2  -0.495292D+00  0.384294D+01  0.145924D+01 -0.660354D+01 -0.862476D-01
      3  -0.453682D-01  0.107665D+01  0.175894D+01 -0.237691D+01  0.482209D+00
               176           177           178           179           180 
      1  -0.248257D+00 -0.343874D+01 -0.216366D+00  0.983227D+00  0.873813D+01
      2   0.128429D+01 -0.649666D+01 -0.417671D+01 -0.623884D+01  0.199113D+02
      3   0.328004D+01 -0.102092D+01 -0.170567D+01 -0.292937D+01  0.831145D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.699970D+01 -0.210913D+02 -0.324694D+01  0.235086D+02  0.116465D+02
      2  -0.696171D+01  0.131480D+02  0.328764D+00 -0.206033D+02 -0.149106D+02
      3  -0.379912D-01  0.794329D+01  0.291817D+01 -0.290539D+01  0.326410D+01
      4  -0.145219D+02 -0.584731D+01 -0.349186D+01  0.114377D+02 -0.260669D+01
      5  -0.685931D+01 -0.143942D+01 -0.331480D+01  0.757605D-01 -0.846467D+01
      6  -0.484322D+01 -0.190440D+01  0.482738D+01 -0.647931D+01 -0.126434D+02
                 6             7             8             9            10 
      1   0.391055D+01  0.562226D+01  0.921527D+00 -0.600385D+01  0.152171D+01
      2  -0.826183D+01 -0.920675D+01 -0.980285D+01 -0.584554D+01 -0.189164D+01
      3   0.435128D+01  0.358449D+01  0.888133D+01  0.118494D+02  0.369928D+00
      4  -0.810225D+01 -0.332765D+01 -0.110875D+02  0.134553D+02  0.855300D+01
      5   0.118300D+02  0.132193D+02  0.136198D+02  0.110525D+02  0.391393D+01
      6   0.599196D+01  0.513403D+01  0.132717D+02  0.376317D+01  0.242502D+01
                11            12            13            14            15 
      1   0.169009D+02  0.492691D+01 -0.485355D+01 -0.485703D+00  0.486142D+01
      2  -0.121695D+02  0.107946D+01  0.126648D+02 -0.272879D+01 -0.377061D+01
      3  -0.473145D+01 -0.600637D+01 -0.781128D+01  0.321449D+01 -0.109081D+01
      4  -0.131089D+02 -0.893959D+00  0.161869D+01  0.128356D+02  0.301733D+01
      5  -0.195239D+01 -0.270260D+01  0.432982D+01  0.286011D+01 -0.102223D+01
      6  -0.506785D+00 -0.734283D+01  0.892662D+01 -0.569971D+01  0.538423D+01
                16            17            18            19            20 
      1  -0.214982D+01  0.516107D+01 -0.138401D+02 -0.203790D+02 -0.308541D+01
      2   0.841744D+01 -0.729555D+01  0.194459D+01  0.523018D+01  0.313162D+01
      3  -0.626762D+01  0.213448D+01  0.118955D+02  0.151489D+02 -0.462088D-01
      4   0.276647D+01  0.995040D+00  0.391299D+01  0.610031D+01  0.233650D+01
      5   0.317945D+01  0.269490D+01 -0.635714D+00 -0.109579D+02 -0.176106D+01
      6  -0.241407D+01  0.107583D+02  0.135083D+00 -0.486120D+01  0.293770D+00
                21            22            23            24            25 
      1  -0.458752D+01 -0.927921D+00 -0.632304D+01 -0.148636D+01 -0.695482D+01
      2   0.354460D+00 -0.189748D+01  0.130034D+02  0.831850D+01 -0.892518D+00
      3   0.423305D+01  0.282540D+01 -0.668036D+01 -0.683214D+01  0.784734D+01
      4  -0.130287D+01 -0.633700D+01 -0.121219D+01  0.200976D+01 -0.635612D+01
      5   0.115841D+01 -0.664024D+01  0.192026D+01 -0.477435D+00  0.702352D+01
      6   0.151811D+01 -0.238282D+01  0.631472D+01 -0.152913D+01  0.290995D+00
                26            27            28            29            30 
      1  -0.224162D+01 -0.774945D+01  0.125549D+02 -0.967127D+01  0.217326D+00
      2   0.432340D+01 -0.334744D+01 -0.775492D+01  0.677997D+01 -0.262060D+01
      3  -0.208178D+01  0.110969D+02 -0.479998D+01  0.289130D+01  0.240327D+01
      4   0.285206D+01  0.169876D+01 -0.505044D+01 -0.197055D+02 -0.381370D+01
      5   0.116567D+01 -0.395856D+00  0.315385D+01 -0.267110D+01 -0.599503D+01
      6   0.786042D+01 -0.335542D+01 -0.117360D+01 -0.255600D+01  0.591839D+01
                31            32            33            34            35 
      1   0.260135D+01  0.753618D+01  0.515267D+01  0.319193D+01  0.391246D+01
      2  -0.107309D+02 -0.105267D+02 -0.862922D+01 -0.526926D+01 -0.115568D+02
      3   0.812957D+01  0.299054D+01  0.347656D+01  0.207733D+01  0.764437D+01
      4   0.112234D+02 -0.135965D+02 -0.301112D+01 -0.148164D+01 -0.298926D+01
      5  -0.131429D+01 -0.320668D+01 -0.103943D+00  0.403696D+01 -0.617270D+01
      6  -0.703323D+01 -0.113617D+02  0.376605D+01  0.106268D+01  0.120716D+02
                36            37            38            39            40 
      1  -0.156763D+02 -0.176858D+01  0.239090D+02  0.632956D+01 -0.295973D+02
      2  -0.968069D+00 -0.255201D+01 -0.146869D+02  0.115379D+01  0.279540D+02
      3   0.166443D+02  0.432059D+01 -0.922202D+01 -0.748335D+01  0.164321D+01
      4  -0.757876D+01  0.159089D+02  0.329648D+01  0.226015D+01  0.165289D+01
      5  -0.489597D+01 -0.404391D+00  0.222456D+00  0.581910D+01 -0.652814D+01
      6   0.481592D+01 -0.313909D-02 -0.943245D+00 -0.839061D+01  0.878392D+01
                41            42            43            44            45 
      1   0.335101D+01  0.957862D+00 -0.971945D+01  0.412587D+01  0.219736D+01
      2  -0.672507D+01 -0.163657D+01  0.118166D+02 -0.870670D+01 -0.884330D+01
      3   0.337406D+01  0.678704D+00 -0.209713D+01  0.458083D+01  0.664593D+01
      4   0.967837D+01  0.115977D+02 -0.234689D+01  0.101456D+02 -0.141447D+02
      5   0.985694D+01 -0.139857D+02  0.197933D+02 -0.142253D+02 -0.109141D+02
      6  -0.780082D+01  0.508184D+01 -0.585605D+01  0.117023D+02 -0.437914D+00
                46            47            48            49            50 
      1  -0.125377D+02 -0.440651D+01 -0.598156D+01  0.958894D+01 -0.194570D+02
      2   0.762759D+01  0.356181D+01  0.192193D+01 -0.816009D+01  0.167993D+02
      3   0.491014D+01  0.844702D+00  0.405963D+01 -0.142885D+01  0.265766D+01
      4  -0.257883D+01  0.253305D+02  0.102424D+00 -0.200471D+02 -0.350744D+01
      5  -0.409127D+01 -0.153637D+00  0.222988D+02 -0.149834D+02 -0.123056D+01
      6   0.674457D+00  0.253275D+00  0.275573D+01 -0.313744D+01  0.463275D+01
                51            52            53            54            55 
      1  -0.879350D+01 -0.342554D+01 -0.918271D+01  0.137883D+02  0.129754D+02
      2   0.120448D+02 -0.790013D+00  0.621203D+01 -0.165201D+02 -0.273698D+01
      3  -0.325134D+01  0.421555D+01  0.297068D+01  0.273177D+01 -0.102385D+02
      4  -0.419364D+01 -0.154591D+02 -0.157369D+01  0.184710D+01  0.166118D+01
      5   0.234423D+01  0.361972D+02  0.302925D+01  0.588545D+01  0.784401D+01
      6  -0.474550D+01  0.125530D+01  0.723816D+01 -0.487106D+01  0.334603D+01
                56            57            58            59            60 
      1   0.441961D+00 -0.241415D+01  0.132942D+02  0.741322D+01  0.875994D+01
      2   0.385535D+01 -0.165434D+01 -0.849993D+01 -0.149660D+02 -0.199844D+02
      3  -0.429731D+01  0.406849D+01 -0.479423D+01  0.755278D+01  0.112245D+02
      4  -0.135807D+02  0.375824D+01 -0.137097D+02 -0.254997D+02 -0.194361D+02
      5   0.388580D+01 -0.189012D+02  0.213026D+02 -0.166146D+02 -0.105574D+01
      6  -0.492927D+00 -0.697878D+00 -0.636477D+01 -0.136854D+02 -0.612783D+01
                61            62            63            64            65 
      1   0.719727D+01  0.823519D+01 -0.718200D+01 -0.410885D+02  0.146104D+01
      2  -0.139695D+02 -0.383197D+01  0.805683D+01  0.276091D+02 -0.702444D+01
      3   0.677224D+01 -0.440322D+01 -0.874836D+00  0.134794D+02  0.556339D+01
      4   0.175083D+02 -0.216443D+02 -0.150384D+02 -0.786009D+00  0.146890D+02
      5  -0.334276D+02 -0.145674D+02  0.115915D+02 -0.192889D+02 -0.751254D+00
      6  -0.904070D+01 -0.115107D+02  0.352850D+01 -0.566278D+00  0.122774D+01
                66            67            68            69            70 
      1  -0.117180D+02 -0.106045D+02 -0.465494D+01 -0.322746D+01 -0.898882D+01
      2   0.115129D+01  0.145382D+01  0.157174D+02 -0.259113D+01  0.209630D+01
      3   0.105668D+02  0.915069D+01 -0.110625D+02  0.581859D+01  0.689252D+01
      4   0.145706D+01  0.176079D+02 -0.642789D+01  0.114238D+02 -0.178754D+01
      5   0.130983D+02 -0.105748D+02  0.983650D+01  0.371905D+01  0.116620D+02
      6  -0.363526D+01  0.620830D+01 -0.414378D+01  0.601494D+01 -0.157794D+01
                71            72            73            74            75 
      1   0.199583D+00  0.175858D+02 -0.616163D+02 -0.175069D+02  0.117871D+02
      2  -0.104276D+02  0.453172D+00  0.248563D+02  0.106569D+02 -0.190336D+01
      3   0.102280D+02 -0.180390D+02  0.367600D+02  0.684997D+01 -0.988371D+01
      4   0.445298D+01  0.352720D+01 -0.240691D+02  0.838066D+01 -0.318646D+01
      5   0.601434D+01 -0.178056D+02  0.168213D+02 -0.411875D+00  0.147042D+02
      6   0.431020D+01  0.938486D+01  0.466329D+01 -0.707217D+01  0.412004D+01
                76            77            78            79            80 
      1  -0.184356D+02  0.197928D+02 -0.459642D+01 -0.890482D-01 -0.637997D+01
      2   0.970042D+01 -0.540543D+01  0.147424D+02  0.106438D+02  0.119965D+02
      3   0.873519D+01 -0.143873D+02 -0.101460D+02 -0.105547D+02 -0.561656D+01
      4   0.750329D+01  0.259610D+01  0.197761D+02 -0.106077D+02  0.128930D+02
      5  -0.490617D+01  0.149726D+02  0.862752D+01  0.279771D+02  0.122174D+02
      6  -0.391195D+01  0.392783D+01 -0.133005D+02  0.971368D+01 -0.789610D+01
                81            82            83            84            85 
      1   0.130490D+02  0.794497D+02 -0.353068D+01  0.119753D+02  0.382913D+01
      2  -0.136355D+02 -0.475825D+02  0.180054D+01 -0.107942D+02 -0.886495D+00
      3   0.586489D+00 -0.318672D+02  0.173014D+01 -0.118117D+01 -0.294263D+01
      4   0.125466D+02 -0.158453D+02  0.718282D+01 -0.443720D+01  0.572002D+01
      5  -0.157416D+02  0.337806D+02 -0.360478D+01  0.160188D+02 -0.161848D+01
      6  -0.613337D+01 -0.331815D+01  0.223946D+01 -0.286050D+01  0.205216D+01
                86            87            88            89            90 
      1   0.248386D+01 -0.252035D+01  0.316392D+01 -0.125447D+01  0.361604D+01
      2   0.248537D+00  0.189733D+01 -0.235646D+01  0.100660D+01 -0.367385D+01
      3  -0.273240D+01  0.623017D+00 -0.807460D+00  0.247871D+00  0.578120D-01
      4  -0.254840D+01  0.235060D+00 -0.263018D+01 -0.473151D+00 -0.146307D+01
      5   0.145809D+00 -0.103264D+01  0.964186D+01 -0.161499D+01  0.491437D+01
      6  -0.334487D+00  0.133954D+01 -0.137449D+01  0.106954D+01 -0.896015D+00
                91            92            93            94            95 
      1   0.101116D+01  0.220472D+01  0.191316D+01  0.103004D-01 -0.146819D+02
      2   0.221763D+01  0.343370D+00  0.434790D+00  0.300717D+01  0.237354D+02
      3  -0.322879D+01 -0.254809D+01 -0.234795D+01 -0.301747D+01 -0.905359D+01
      4   0.773303D+01  0.134683D+02  0.313380D+01  0.111808D+02  0.326483D+02
      5   0.205617D+01  0.304588D+01  0.774006D+01  0.216690D+01  0.808392D+01
      6   0.429932D+01  0.210285D+01  0.105632D+01  0.306046D+01  0.175858D+02
                96            97            98            99           100 
      1  -0.539626D+01  0.126061D-01 -0.760997D+01 -0.557792D+01  0.427212D+01
      2   0.860235D+01  0.182987D+01  0.602735D+01  0.232177D+01 -0.270321D+01
      3  -0.320609D+01 -0.184248D+01  0.158262D+01  0.325615D+01 -0.156891D+01
      4   0.929335D+01  0.264096D+01  0.153444D+02  0.955880D+01 -0.676825D+00
      5   0.819416D+01  0.781333D+01  0.853010D+01  0.614276D+01 -0.262976D+01
      6   0.104726D+02  0.333927D+01  0.140254D+02  0.941709D+01  0.199869D+01
               101           102           103           104           105 
      1  -0.146240D+01 -0.560896D+01 -0.510320D+01 -0.778416D+01 -0.602035D+01
      2   0.612369D+00  0.308709D+00  0.366692D+01 -0.403899D+00 -0.658693D+01
      3   0.850030D+00  0.530025D+01  0.143628D+01  0.818806D+01  0.126073D+02
      4  -0.274755D+00  0.350089D+00  0.193143D+01 -0.163252D+02 -0.114147D+02
      5   0.163788D+01  0.327370D-01  0.758323D+01 -0.950695D+01 -0.156921D+02
      6   0.156312D+01 -0.679593D-02 -0.441925D+00  0.119061D+02  0.102321D+02
               106           107           108           109           110 
      1  -0.390609D+01 -0.423181D+01 -0.108112D+02 -0.730591D+00  0.967560D+01
      2   0.258593D+01 -0.536131D+01 -0.707321D+01  0.156051D+01 -0.651927D+01
      3   0.132017D+01  0.959312D+01  0.178844D+02 -0.829918D+00 -0.315633D+01
      4   0.655972D+00 -0.969674D+01 -0.813309D+01  0.226496D+01 -0.251266D+01
      5   0.439505D+01 -0.684143D+01 -0.144958D+02 -0.199771D+00 -0.138059D+00
      6  -0.599523D+00  0.934184D+01  0.755569D+01 -0.375646D+01  0.641554D+01
               111           112           113           114           115 
      1  -0.844462D+01  0.964222D+01 -0.202265D+02  0.128602D+02 -0.418870D+01
      2   0.226237D+01 -0.533682D+01  0.172977D+02 -0.597435D+01  0.809635D+00
      3   0.618225D+01 -0.430540D+01  0.292881D+01 -0.688589D+01  0.337907D+01
      4   0.162177D+01  0.224733D+01  0.161915D+02 -0.106867D+02  0.422846D+00
      5  -0.278226D+01 -0.406143D+01 -0.795950D+01  0.788580D+01  0.218351D+01
      6  -0.538611D+01  0.224464D+01 -0.185555D+02  0.149472D+02 -0.264392D+01
               116           117           118           119           120 
      1   0.100490D+02 -0.138315D+02  0.872963D+02  0.112909D+02 -0.683307D+01
      2  -0.348187D+01  0.144817D+01 -0.438552D+02 -0.383523D+01  0.748076D+01
      3  -0.656715D+01  0.123834D+02 -0.434411D+02 -0.745566D+01 -0.647685D+00
      4  -0.682816D+01  0.510732D+01  0.271432D+02  0.147128D+02 -0.376036D+01
      5   0.434874D+01 -0.668904D+01 -0.322274D+02 -0.539024D+01  0.157266D+02
      6   0.128864D+02 -0.114273D+02 -0.570908D+01 -0.375495D+01  0.312689D+01
               121           122           123           124           125 
      1   0.102157D+02  0.591026D+01  0.451644D+00  0.488609D+01  0.109445D+01
      2  -0.287472D+01 -0.171960D+01 -0.471278D+00  0.423718D+00 -0.330684D+00
      3  -0.734098D+01 -0.419066D+01  0.196340D-01 -0.530981D+01 -0.763765D+00
      4   0.159340D+02  0.746666D+01 -0.362372D+01  0.217694D+01 -0.231484D+00
      5  -0.401048D+01 -0.463728D+01  0.196072D+01  0.869989D+01  0.689415D+00
      6  -0.295729D+01 -0.206495D+01  0.340027D+01  0.181090D+01  0.212895D+01
               126           127           128           129           130 
      1   0.476226D+01 -0.521115D+01 -0.852324D+01 -0.296876D+01 -0.782744D+01
      2  -0.351253D+01  0.630717D+01  0.100141D+02  0.222978D+01  0.923428D+01
      3  -0.124972D+01 -0.109602D+01 -0.149091D+01  0.738985D+00 -0.140684D+01
      4   0.138471D+01  0.353049D+01  0.721086D+01  0.153793D+01  0.482977D+01
      5  -0.173745D+01  0.127173D+01  0.135678D+01  0.191464D+01  0.104945D+01
      6  -0.109485D+00  0.263773D+01  0.409417D+01  0.244901D+01  0.334566D+01
               131           132           133           134           135 
      1  -0.323150D+02 -0.920619D+01 -0.241761D+01 -0.893352D+01 -0.344508D+01
      2   0.411805D+02  0.852887D+01  0.287304D+01  0.106758D+02  0.389015D+01
      3  -0.886551D+01  0.677326D+00 -0.455425D+00 -0.174225D+01 -0.445073D+00
      4  -0.832263D+00 -0.590817D+00  0.145679D+01 -0.915004D-01  0.128452D+01
      5  -0.604177D+00  0.109234D+00  0.100444D+01  0.516643D+00  0.650868D+00
      6   0.140560D+02  0.906401D+01  0.996321D+00  0.523056D+01  0.368969D+01
               136           137           138           139           140 
      1   0.220330D+02 -0.140623D+02 -0.288266D+01 -0.877314D+01  0.328047D+01
      2  -0.370936D+01 -0.100627D+01  0.809350D+00 -0.683544D+01  0.169277D+02
      3  -0.183237D+02  0.150686D+02  0.207331D+01  0.156086D+02 -0.202082D+02
      4  -0.340288D+02  0.311800D+02  0.497344D+01  0.344266D+02 -0.443929D+02
      5  -0.710805D+01  0.518765D+01  0.624016D+01  0.755716D+01 -0.896829D+01
      6   0.277917D+01 -0.243444D+01 -0.300244D+01 -0.491527D+01  0.678813D+01
               141           142           143           144           145 
      1   0.735805D+00 -0.104601D+01 -0.747985D-01 -0.132870D-01  0.102492D+03
      2   0.120171D+01 -0.156137D+01  0.349093D+01  0.107927D+01 -0.573760D+02
      3  -0.193752D+01  0.260738D+01 -0.341613D+01 -0.106598D+01 -0.451161D+02
      4  -0.849859D+01  0.678150D+01 -0.861794D+01 -0.293841D+01  0.135043D+02
      5  -0.586227D+01  0.250974D+01 -0.252152D+01 -0.153268D+01  0.997385D+01
      6   0.599911D+01 -0.185155D+01  0.255800D+01  0.210134D+01 -0.220204D+01
               146           147           148           149           150 
      1   0.874446D+01  0.674184D+01  0.697258D+01  0.976176D+01  0.223397D+01
      2  -0.431573D+01 -0.447444D+01 -0.299775D+01 -0.448190D+01 -0.190945D+01
      3  -0.442873D+01 -0.226741D+01 -0.397482D+01 -0.527986D+01 -0.324524D+00
      4   0.937192D+01  0.808712D+00  0.160299D+02  0.411029D+01  0.151393D+01
      5   0.753496D+00  0.965828D+01  0.434465D+01  0.162743D+01  0.135926D+01
      6   0.240801D+00  0.442803D+00  0.911717D+00 -0.144198D+00  0.163870D+01
               151           152           153           154           155 
      1   0.789323D+01  0.245276D+01  0.293951D+01  0.547343D+01  0.472279D+01
      2  -0.422679D+01 -0.134074D+01 -0.165022D+01  0.342114D+01  0.509872D+01
      3  -0.366644D+01 -0.111202D+01 -0.128929D+01 -0.889457D+01 -0.982151D+01
      4   0.467234D+01  0.163738D+01  0.771282D+00  0.193127D+02  0.240399D+02
      5   0.231169D+01  0.488459D+00  0.125753D+01  0.496531D+01  0.570346D+01
      6   0.114583D+00  0.508762D+00  0.594393D+00  0.385884D+01  0.442839D+01
               156           157           158           159           160 
      1   0.111437D+01 -0.134159D+01 -0.159780D+02 -0.402299D+01  0.748569D-01
      2   0.491324D+00  0.118428D+02  0.370803D+02  0.624783D+01  0.238108D+01
      3  -0.160570D+01 -0.105012D+02 -0.211023D+02 -0.222484D+01 -0.245594D+01
      4   0.588443D+01  0.249535D+02  0.468746D+02  0.111697D+02  0.690309D+01
      5   0.512072D+01  0.610154D+01  0.107559D+02  0.635253D+01  0.246403D+01
      6   0.291259D+01  0.621380D+01  0.145258D+02  0.940739D+01  0.254750D+01
               161           162           163           164           165 
      1  -0.348042D+01 -0.186612D+01 -0.437263D+01  0.669407D+01  0.113851D+01
      2   0.822421D+01  0.299848D+01  0.580359D+01 -0.940781D+01 -0.122500D+01
      3  -0.474379D+01 -0.113237D+01 -0.143096D+01  0.271374D+01  0.864908D-01
      4   0.127290D+02  0.414304D+01 -0.851082D+01  0.724938D+01  0.801768D+00
      5   0.343724D+01  0.245463D+01 -0.542339D-01  0.879548D+00  0.152844D+01
      6   0.522546D+01  0.368981D+01  0.730605D+00 -0.175754D+01 -0.208296D+01
               166           167           168           169           170 
      1   0.843464D+01 -0.202870D+02 -0.393917D+01  0.154408D+01 -0.384335D+01
      2  -0.108039D+02  0.269059D+02  0.341116D+01 -0.210486D+01  0.457844D+01
      3   0.236926D+01 -0.661890D+01  0.528002D+00  0.560777D+00 -0.735091D+00
      4   0.738585D+01 -0.833068D+01 -0.112733D+01  0.115269D+01 -0.143375D+01
      5   0.994100D+00 -0.129659D+01 -0.148346D+01  0.849704D+00 -0.624691D+00
      6  -0.274996D+01  0.545107D+01  0.494526D+01 -0.101400D+01  0.227237D+01
               171           172           173           174           175 
      1  -0.940879D+00 -0.299969D+01 -0.240862D+01  0.102540D+02 -0.781824D+00
      2   0.166944D+01 -0.197423D+00 -0.186045D+00  0.180922D+01  0.399273D+00
      3  -0.728562D+00  0.319711D+01  0.259467D+01 -0.120632D+02  0.382551D+00
      4  -0.196956D+01  0.578565D+00 -0.240299D+01  0.729035D-01  0.344207D+01
      5  -0.129213D+01  0.132417D+01  0.147716D+01 -0.657068D+01 -0.867795D+00
      6   0.158858D+01 -0.979981D+00 -0.143667D+01  0.427813D+01 -0.894375D-01
               176           177           178           179           180 
      1  -0.299377D+01  0.536742D+01  0.844375D+01  0.716317D+01 -0.248624D+02
      2   0.993561D+00  0.265584D+01 -0.435574D+01  0.168329D+01 -0.126539D+02
      3   0.200021D+01 -0.802326D+01 -0.408801D+01 -0.884646D+01  0.375163D+02
      4  -0.689897D+01  0.193208D+01 -0.314113D+01  0.361804D+01 -0.797151D+01
      5   0.242988D+01 -0.116669D+02  0.749703D+01 -0.996129D+01  0.334703D+02
      6  -0.287806D+01  0.881051D+01  0.329570D+00  0.796330D+01 -0.171572D+02
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 20:03:10 2021, MaxMem=  5368709120 cpu:            8419.8 elap:            1055.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -14.31698 -10.21861 -10.18985 -10.18703 -10.18589
 Alpha  occ. eigenvalues --  -10.18522 -10.18514 -10.18072 -10.17597  -0.90041
 Alpha  occ. eigenvalues --   -0.85537  -0.76834  -0.74783  -0.72306  -0.63191
 Alpha  occ. eigenvalues --   -0.60835  -0.57251  -0.51656  -0.48822  -0.48500
 Alpha  occ. eigenvalues --   -0.45439  -0.43355  -0.43233  -0.41892  -0.38980
 Alpha  occ. eigenvalues --   -0.37635  -0.37154  -0.35896  -0.34120  -0.33306
 Alpha  occ. eigenvalues --   -0.25685  -0.25503  -0.24249
 Alpha virt. eigenvalues --   -0.01411  -0.01301  -0.01268  -0.00051   0.00689
 Alpha virt. eigenvalues --    0.01049   0.02172   0.02459   0.03242   0.04386
 Alpha virt. eigenvalues --    0.04592   0.05315   0.05378   0.06390   0.07496
 Alpha virt. eigenvalues --    0.07864   0.08609   0.09109   0.09261   0.09894
 Alpha virt. eigenvalues --    0.10014   0.10382   0.10454   0.10790   0.11395
 Alpha virt. eigenvalues --    0.11533   0.11996   0.12660   0.12808   0.13189
 Alpha virt. eigenvalues --    0.13504   0.13994   0.14423   0.14630   0.15353
 Alpha virt. eigenvalues --    0.15935   0.16151   0.17184   0.17746   0.18600
 Alpha virt. eigenvalues --    0.19328   0.20158   0.20527   0.21871   0.22120
 Alpha virt. eigenvalues --    0.22265   0.23047   0.23139   0.24257   0.24580
 Alpha virt. eigenvalues --    0.25135   0.25564   0.25923   0.26256   0.26504
 Alpha virt. eigenvalues --    0.27068   0.28163   0.28509   0.28861   0.29247
 Alpha virt. eigenvalues --    0.30001   0.31453   0.31651   0.32137   0.32679
 Alpha virt. eigenvalues --    0.33000   0.33583   0.34007   0.34657   0.35191
 Alpha virt. eigenvalues --    0.36503   0.37665   0.38044   0.38735   0.39482
 Alpha virt. eigenvalues --    0.40108   0.41287   0.41824   0.42563   0.43205
 Alpha virt. eigenvalues --    0.43588   0.43922   0.44678   0.45026   0.45719
 Alpha virt. eigenvalues --    0.47421   0.47870   0.48429   0.48559   0.49680
 Alpha virt. eigenvalues --    0.49967   0.50177   0.51352   0.51931   0.52336
 Alpha virt. eigenvalues --    0.54252   0.55079   0.55444   0.55572   0.56106
 Alpha virt. eigenvalues --    0.56426   0.57381   0.58294   0.58867   0.59194
 Alpha virt. eigenvalues --    0.59270   0.60568   0.61293   0.61896   0.62971
 Alpha virt. eigenvalues --    0.63740   0.63987   0.64531   0.65488   0.65865
 Alpha virt. eigenvalues --    0.66226   0.67037   0.67323   0.67493   0.68767
 Alpha virt. eigenvalues --    0.70226   0.70297   0.71543   0.72700   0.74227
 Alpha virt. eigenvalues --    0.74332   0.75558   0.76692   0.77294   0.77940
 Alpha virt. eigenvalues --    0.78144   0.79301   0.79428   0.79810   0.80854
 Alpha virt. eigenvalues --    0.81736   0.82827   0.83887   0.84672   0.85523
 Alpha virt. eigenvalues --    0.87490   0.87906   0.88741   0.90187   0.93470
 Alpha virt. eigenvalues --    0.94026   0.94690   0.95901   0.97044   0.98805
 Alpha virt. eigenvalues --    0.99456   0.99822   1.01573   1.03455   1.06389
 Alpha virt. eigenvalues --    1.08111   1.09934   1.10966   1.13062   1.16795
 Alpha virt. eigenvalues --    1.18540   1.19622   1.26842   1.30005   1.30176
 Alpha virt. eigenvalues --    1.31762   1.33143   1.33905   1.35285   1.35983
 Alpha virt. eigenvalues --    1.37824   1.38564   1.39248   1.40946   1.42731
 Alpha virt. eigenvalues --    1.42810   1.44135   1.45020   1.47215   1.48491
 Alpha virt. eigenvalues --    1.48795   1.50414   1.51389   1.52094   1.53446
 Alpha virt. eigenvalues --    1.55381   1.56498   1.58899   1.59839   1.62568
 Alpha virt. eigenvalues --    1.63707   1.64914   1.66224   1.67143   1.69709
 Alpha virt. eigenvalues --    1.70406   1.70773   1.71619   1.73277   1.73806
 Alpha virt. eigenvalues --    1.75722   1.76855   1.77827   1.79693   1.81954
 Alpha virt. eigenvalues --    1.82422   1.84055   1.85848   1.86558   1.86826
 Alpha virt. eigenvalues --    1.88404   1.89717   1.91197   1.92902   1.95395
 Alpha virt. eigenvalues --    1.96479   1.97775   1.98557   2.00939   2.02231
 Alpha virt. eigenvalues --    2.02819   2.04900   2.06307   2.07426   2.07610
 Alpha virt. eigenvalues --    2.10176   2.10743   2.12557   2.14592   2.15678
 Alpha virt. eigenvalues --    2.17197   2.19377   2.20934   2.23596   2.24773
 Alpha virt. eigenvalues --    2.25534   2.29797   2.30129   2.32821   2.33527
 Alpha virt. eigenvalues --    2.36485   2.37170   2.42290   2.44904   2.47691
 Alpha virt. eigenvalues --    2.49137   2.51205   2.52932   2.54492   2.55761
 Alpha virt. eigenvalues --    2.56461   2.62089   2.62541   2.67811   2.68408
 Alpha virt. eigenvalues --    2.73892   2.75211   2.77365   2.81185   2.87658
 Alpha virt. eigenvalues --    2.88100   2.93088   2.98985   3.03481   3.04105
 Alpha virt. eigenvalues --    3.07988   3.08753   3.19596   3.39112   3.43564
 Alpha virt. eigenvalues --    3.55618   3.57908   4.52978
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   16.488574  -8.346206   5.852640  -7.067961   6.340966  -6.797327
     2  C   -8.346206  22.389873  -9.620377   3.824247  -6.163988   5.466992
     3  C    5.852640  -9.620377  21.695782 -11.811693   5.234393  -6.064529
     4  C   -7.067961   3.824247 -11.811693  25.698151  -8.394411   6.216220
     5  C    6.340966  -6.163988   5.234393  -8.394411  16.090766  -6.853274
     6  C   -6.797327   5.466992  -6.064529   6.216220  -6.853274  14.088838
     7  C   -0.641917  -0.442547  -3.011737  -0.963619  -0.115020   0.255184
     8  N   -0.023940   0.266199   0.455861  -0.045717  -0.102645   0.025540
     9  C    0.331067  -0.727341   0.381502  -0.481964   0.281439  -0.215147
    10  H   -0.003523  -0.057723   0.032540   0.022419   0.001747   0.001770
    11  H   -0.026876  -0.000407   0.504714   0.080986  -0.062168   0.030583
    12  H   -0.046169  -0.059175  -0.186132   0.162767   0.007818   0.004384
    13  H   -0.015519   0.045998  -0.253029   0.050182  -0.035851   0.010385
    14  H    0.045663  -0.000692   0.597782  -0.190604   0.016621  -0.016097
    15  H    0.205048  -0.257431   1.086120  -2.918426   0.890833  -0.329071
    16  H   -0.453626   0.280400  -0.462770   1.279114  -2.151147   0.851228
    17  H    0.913205  -0.241549   0.206065  -0.328467   0.852791  -1.968622
    18  H   -2.266883   1.504567  -0.488025   0.283772  -0.489362   0.759493
    19  H    1.054637  -2.634959   0.612685  -0.364987   0.171598  -0.214734
    20  H    0.018798  -0.021683  -0.034714  -0.006364   0.024498  -0.013340
               7          8          9         10         11         12
     1  C   -0.641917  -0.023940   0.331067  -0.003523  -0.026876  -0.046169
     2  C   -0.442547   0.266199  -0.727341  -0.057723  -0.000407  -0.059175
     3  C   -3.011737   0.455861   0.381502   0.032540   0.504714  -0.186132
     4  C   -0.963619  -0.045717  -0.481964   0.022419   0.080986   0.162767
     5  C   -0.115020  -0.102645   0.281439   0.001747  -0.062168   0.007818
     6  C    0.255184   0.025540  -0.215147   0.001770   0.030583   0.004384
     7  C   12.983204  -1.305787   0.066637   0.022512  -1.659527  -0.079737
     8  N   -1.305787   7.128783   0.049477   0.191550   0.176970  -0.043935
     9  C    0.066637   0.049477   4.573706  -0.055570   0.218001   0.356980
    10  H    0.022512   0.191550  -0.055570   1.113882  -0.006017  -0.017938
    11  H   -1.659527   0.176970   0.218001  -0.006017   2.531011   0.115246
    12  H   -0.079737  -0.043935   0.356980  -0.017938   0.115246   1.825539
    13  H    0.241334   0.057487   0.062851   0.019626  -0.083632  -0.343971
    14  H   -0.259310   0.013843  -0.059083  -0.027296  -0.015848  -0.425492
    15  H    0.238297  -0.005034   0.063791  -0.005930  -0.134225   0.016996
    16  H    0.028311  -0.001402  -0.002129   0.000207   0.002888  -0.001062
    17  H   -0.020561   0.001528  -0.000219  -0.000047   0.000362   0.000397
    18  H    0.079955  -0.008739  -0.007810   0.000878   0.002832   0.001017
    19  H    0.145243  -0.138582   0.096948   0.015994   0.022113  -0.057388
    20  H    0.144924   0.212290  -0.029813  -0.136538  -0.073688   0.012270
              13         14         15         16         17         18
     1  C   -0.015519   0.045663   0.205048  -0.453626   0.913205  -2.266883
     2  C    0.045998  -0.000692  -0.257431   0.280400  -0.241549   1.504567
     3  C   -0.253029   0.597782   1.086120  -0.462770   0.206065  -0.488025
     4  C    0.050182  -0.190604  -2.918426   1.279114  -0.328467   0.283772
     5  C   -0.035851   0.016621   0.890833  -2.151147   0.852791  -0.489362
     6  C    0.010385  -0.016097  -0.329071   0.851228  -1.968622   0.759493
     7  C    0.241334  -0.259310   0.238297   0.028311  -0.020561   0.079955
     8  N    0.057487   0.013843  -0.005034  -0.001402   0.001528  -0.008739
     9  C    0.062851  -0.059083   0.063791  -0.002129  -0.000219  -0.007810
    10  H    0.019626  -0.027296  -0.005930   0.000207  -0.000047   0.000878
    11  H   -0.083632  -0.015848  -0.134225   0.002888   0.000362   0.002832
    12  H   -0.343971  -0.425492   0.016996  -0.001062   0.000397   0.001017
    13  H    1.926746  -0.363907  -0.031280  -0.001926   0.000050  -0.002922
    14  H   -0.363907   2.039517  -0.001134   0.001312  -0.000013   0.000823
    15  H   -0.031280  -0.001134   3.493425  -0.208804  -0.032027   0.021427
    16  H   -0.001926   0.001312  -0.208804   2.789693  -0.147894  -0.036793
    17  H    0.000050  -0.000013  -0.032027  -0.147894   2.727419  -0.158009
    18  H   -0.002922   0.000823   0.021427  -0.036793  -0.158009   2.837297
    19  H    0.023812   0.003859  -0.065343   0.020780  -0.028352  -0.227853
    20  H   -0.011353   0.010441   0.005814   0.000595   0.000250  -0.002361
              19         20
     1  C    1.054637   0.018798
     2  C   -2.634959  -0.021683
     3  C    0.612685  -0.034714
     4  C   -0.364987  -0.006364
     5  C    0.171598   0.024498
     6  C   -0.214734  -0.013340
     7  C    0.145243   0.144924
     8  N   -0.138582   0.212290
     9  C    0.096948  -0.029813
    10  H    0.015994  -0.136538
    11  H    0.022113  -0.073688
    12  H   -0.057388   0.012270
    13  H    0.023812  -0.011353
    14  H    0.003859   0.010441
    15  H   -0.065343   0.005814
    16  H    0.020780   0.000595
    17  H   -0.028352   0.000250
    18  H   -0.227853  -0.002361
    19  H    3.592623  -0.027488
    20  H   -0.027488   1.050922
 Mulliken charges:
               1
     1  C    0.439350
     2  C    0.795805
     3  C    1.272922
     4  C    0.956353
     5  C    0.454396
     6  C    0.761524
     7  C    0.294159
     8  N    0.096254
     9  C    1.096677
    10  H   -0.112544
    11  H   -0.623317
    12  H   -0.242416
    13  H   -0.295083
    14  H   -0.370386
    15  H   -1.033046
    16  H   -0.786972
    17  H   -0.776309
    18  H   -0.803304
    19  H   -1.000604
    20  H   -0.123461
 Sum of Mulliken charges =   0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.363954
     2  C   -0.204799
     3  C    1.272922
     4  C   -0.076693
     5  C   -0.332576
     6  C   -0.014785
     7  C   -0.329158
     8  N   -0.139750
     9  C    0.188792
 Electronic spatial extent (au):  <R**2>=           1288.2087
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -0.6803    Y=             -0.8132    Z=             -0.6362  Tot=              1.2364
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -49.9912   YY=            -54.7808   ZZ=            -56.4851
   XY=              1.6816   XZ=              2.2120   YZ=              0.8138
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              3.7612   YY=             -1.0285   ZZ=             -2.7327
   XY=              1.6816   XZ=              2.2120   YZ=              0.8138
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -11.0135  YYY=             -2.2056  ZZZ=             -6.8881  XYY=              5.8850
  XXY=             -2.1820  XXZ=             -5.4677  XZZ=            -11.0547  YZZ=              3.0985
  YYZ=             -0.4435  XYZ=              3.6523
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1111.0616 YYYY=           -364.5237 ZZZZ=           -199.7538 XXXY=             -3.8993
 XXXZ=             30.4210 YYYX=              5.4991 YYYZ=              8.6950 ZZZX=             14.8764
 ZZZY=             -8.9803 XXYY=           -268.0728 XXZZ=           -243.9966 YYZZ=            -95.7833
 XXYZ=              1.4482 YYXZ=              2.9530 ZZXY=             -6.4756
 N-N= 4.257104317367D+02 E-N=-1.700835570171D+03  KE= 3.640880167503D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 20:03:10 2021, MaxMem=  5368709120 cpu:               2.2 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-2.81616381D-01-3.09909963D-01-2.76521489D-01
 Polarizability= 1.26371264D+02 4.02624642D-01 1.00539729D+02
                 1.05229610D+00 5.47513741D+00 7.12755021D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.6400   -0.6419        0.1073    0.1113
 2      0.6400    0.6419       -2.9373   -2.9382      -14.0124  -14.0076
 3     -0.1073   -0.1113       29.1198   29.1194        2.9433    2.9382
 4      2.9373    2.9382       -0.0000    0.0000       -0.1139   -0.1113
 5    -15.1074  -15.1118        0.1139    0.1113       -0.6437   -0.6419
 6     -2.9433   -2.9382        0.6437    0.6419       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        1.9258    1.9258        0.3339    0.3339
 2      8.8145    8.8145        0.0000    0.0000        0.3339    0.3339
 3      8.8145    8.8145        1.9258    1.9258        0.0000    0.0000
 4      1.9258    1.9258       -8.8145   -8.8145      -42.0228  -42.0228
 5     -0.3339   -0.3339       87.3583   87.3583        8.8145    8.8145
 6    -45.3354  -45.3354        0.3339    0.3339       -1.9258   -1.9258
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0052    0.0000        2.5106    2.5677       -0.3130   -0.4451
 2     -2.5774   -2.5677       11.7143   11.7526       56.1780   56.0305
 3      0.3263    0.4451     -116.3752 -116.4777      -11.8210  -11.7526
 4    -11.7004  -11.7526       -0.0964    0.0000        0.4585    0.4451
 5     60.2605   60.4472       -0.3564   -0.4451        2.4942    2.5677
 6     11.9381   11.7526       -3.0369   -2.5677       -0.0753    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0310    0.0000       -3.8890   -3.8565       -6.1854   -6.1546
 2      3.6207    3.8565      -45.8841  -45.7641      -33.4700  -33.4544
 3      6.2200    6.1546      -22.4305  -22.0683       46.5300   45.7641
 4     45.7309   45.7641        0.0635    0.0000        5.8454    6.1546
 5     55.6740   55.5227       -6.5657   -6.1546       -3.3969   -3.8565
 6    -45.7150  -45.7641        3.7693    3.8565        0.3520    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     33.1579   33.1882        2.1782    2.2162       15.2177   15.1184
 2     99.3746   99.6334       -3.9064   -4.0703       14.6326   15.1184
 3     99.3435   99.6334        2.3394    2.2162        9.5388    9.8896
 4      6.2214    6.2865      -66.1620  -66.4452      -38.7370  -38.8235
 5     -5.1767   -5.2288      -46.3769  -46.2866       66.6892   66.4452
 6     85.6170   85.1100        4.2973    5.2288       -6.5595   -6.2865
 Full mass-weighted force constant matrix:
 Low frequencies ---   -6.8196   -4.9323   -0.0007   -0.0005   -0.0004    1.7214
 Low frequencies ---   43.8680  127.6567  215.2272
 Diagonal vibrational polarizability:
       18.3534058       8.4396374      12.7888768
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     43.8646               127.6567               215.2272
 Red. masses --      3.2047                 3.1311                 1.9465
 Frc consts  --      0.0036                 0.0301                 0.0531
 IR Inten    --      0.4220                 2.1227                 0.8102
 RamAct Fr= 1--      4.0188                 4.5426                 0.3838
  Dep-P Fr= 1--      0.7494                 0.7473                 0.3985
  Dep-U Fr= 1--      0.8568                 0.8554                 0.5699
 Alpha2 Fr= 1--      0.0000                 0.0002                 0.0029
 Beta2  Fr= 1--      0.5739                 0.6476                 0.0365
 AlphaG Fr= 1--      0.0001                 0.0014                -0.0026
 Gamma2 Fr= 1--     -0.6182                -0.1444                -0.0889
 Delta2 Fr= 1--     -0.8622                 0.0492                -0.1037
 Raman1 Fr= 1--      16.075                 18.170                  1.535
 ROA1   Fr= 1--     -86.938                -12.287                -11.850
 CID1   Fr= 1--      -5.408                 -0.676                 -7.719
 Raman2 Fr= 1--       6.886                  7.771                  0.437
 ROA2   Fr= 1--      -7.939                 -3.858                 -1.304
 CID2   Fr= 1--      -1.153                 -0.496                 -2.980
 Raman3 Fr= 1--      13.773                 15.542                  0.875
 ROA3   Fr= 1--     -86.938                -12.287                -11.850
 CID3   Fr= 1--      -6.312                 -0.791                -13.545
 RC180  Fr= 1--       0.714                  0.711                  0.140
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.03   0.13    -0.02  -0.03   0.08    -0.11   0.01  -0.01
     2   6    -0.02  -0.06   0.16    -0.01   0.02  -0.11    -0.08  -0.08  -0.04
     3   6    -0.00  -0.03   0.04    -0.00   0.04  -0.17    -0.01  -0.11  -0.05
     4   6     0.02   0.02  -0.12    -0.01   0.03  -0.14     0.04  -0.07  -0.03
     5   6     0.02   0.04  -0.16    -0.02  -0.02   0.05     0.03   0.02   0.01
     6   6    -0.00   0.01  -0.03    -0.03  -0.06   0.19    -0.05   0.06   0.02
     7   6    -0.00  -0.04   0.06    -0.00   0.01  -0.04    -0.01  -0.02  -0.01
     8   7     0.04  -0.13  -0.15    -0.13  -0.04  -0.00     0.11   0.08   0.04
     9   6    -0.03   0.21   0.08     0.22   0.06   0.07     0.05   0.06   0.03
    10   1     0.04  -0.13  -0.19    -0.14  -0.05   0.22     0.10   0.15  -0.05
    11   1    -0.00  -0.13   0.21    -0.05  -0.03   0.03    -0.14   0.00  -0.02
    12   1    -0.03   0.32  -0.06     0.28   0.11  -0.02     0.49  -0.09   0.12
    13   1    -0.06   0.29   0.24     0.35   0.12   0.05    -0.26  -0.19  -0.13
    14   1    -0.03   0.22   0.09     0.22   0.00   0.26    -0.03   0.52   0.14
    15   1     0.03   0.04  -0.21    -0.01   0.04  -0.19     0.10  -0.10  -0.02
    16   1     0.04   0.08  -0.28    -0.03  -0.04   0.10     0.09   0.06   0.04
    17   1    -0.00   0.03  -0.06    -0.04  -0.11   0.37    -0.06   0.11   0.05
    18   1    -0.04  -0.05   0.23    -0.02  -0.05   0.17    -0.17   0.04  -0.00
    19   1    -0.04  -0.09   0.27    -0.00   0.03  -0.15    -0.15  -0.13  -0.06
    20   1     0.09  -0.27  -0.16    -0.33  -0.11  -0.08     0.20   0.14   0.09
                      4                      5                      6
                      A                      A                      A
 Frequencies --    256.6705               283.4791               309.1102
 Red. masses --      1.3623                 1.1682                 3.0174
 Frc consts  --      0.0529                 0.0553                 0.1699
 IR Inten    --     14.6442                21.7654                 2.4705
 RamAct Fr= 1--      0.2315                 1.8512                 0.8827
  Dep-P Fr= 1--      0.6328                 0.4836                 0.1590
  Dep-U Fr= 1--      0.7751                 0.6520                 0.2744
 Alpha2 Fr= 1--      0.0005                 0.0098                 0.0133
 Beta2  Fr= 1--      0.0299                 0.2011                 0.0404
 AlphaG Fr= 1--     -0.0035                -0.0109                 0.0014
 Gamma2 Fr= 1--     -0.0099                -0.1415                -0.7361
 Delta2 Fr= 1--      0.0139                -0.0417                -0.1508
 Raman1 Fr= 1--       0.926                  7.405                  3.531
 ROA1   Fr= 1--      -0.509                -14.920                -75.493
 CID1   Fr= 1--      -0.550                 -2.015                -21.382
 Raman2 Fr= 1--       0.359                  2.414                  0.484
 ROA2   Fr= 1--      -0.350                 -3.063                -16.460
 CID2   Fr= 1--      -0.974                 -1.269                -33.984
 Raman3 Fr= 1--       0.718                  4.828                  0.969
 ROA3   Fr= 1--      -0.509                -14.920                -75.493
 CID3   Fr= 1--      -0.710                 -3.091                -77.931
 RC180  Fr= 1--       0.550                  0.304                 -0.451
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.00  -0.00     0.03  -0.00   0.01    -0.04  -0.01   0.05
     2   6    -0.04  -0.05  -0.02     0.03  -0.01   0.01    -0.05  -0.01   0.16
     3   6     0.01  -0.07  -0.02     0.02  -0.00   0.01    -0.02   0.02   0.03
     4   6     0.04  -0.05  -0.00     0.03   0.00   0.01    -0.07  -0.04   0.16
     5   6     0.03   0.01   0.00     0.03   0.01  -0.00    -0.07  -0.02   0.03
     6   6    -0.01   0.03   0.00     0.04   0.01  -0.01    -0.05   0.02  -0.16
     7   6    -0.00  -0.00  -0.01    -0.00   0.00  -0.01     0.02   0.04  -0.11
     8   7     0.07   0.07   0.04    -0.05  -0.02  -0.00     0.02   0.03  -0.11
     9   6    -0.02   0.03  -0.02    -0.06   0.02  -0.04     0.22  -0.02  -0.04
    10   1     0.02   0.30   0.39    -0.10   0.17   0.53    -0.01   0.14   0.13
    11   1    -0.07   0.02  -0.03     0.00  -0.00  -0.01     0.02   0.04  -0.11
    12   1    -0.39   0.23  -0.19     0.16  -0.10   0.07     0.35  -0.06  -0.03
    13   1     0.27   0.31   0.20    -0.30  -0.15  -0.12     0.37  -0.02  -0.19
    14   1     0.05  -0.39  -0.06    -0.11   0.31  -0.07     0.21  -0.06   0.19
    15   1     0.07  -0.07  -0.00     0.04  -0.00   0.01    -0.11  -0.04   0.25
    16   1     0.07   0.04   0.00     0.03   0.01  -0.01    -0.07  -0.03   0.03
    17   1    -0.02   0.07   0.00     0.04   0.01  -0.02    -0.04   0.06  -0.37
    18   1    -0.09   0.01   0.00     0.03   0.00   0.01    -0.02  -0.02   0.06
    19   1    -0.07  -0.08  -0.05     0.03  -0.00  -0.01    -0.06  -0.04   0.24
    20   1    -0.21  -0.12  -0.09    -0.49  -0.30  -0.21    -0.18  -0.14  -0.21
                      7                      8                      9
                      A                      A                      A
 Frequencies --    368.5042               416.7400               483.8809
 Red. masses --      2.8724                 2.9574                 3.1929
 Frc consts  --      0.2298                 0.3026                 0.4405
 IR Inten    --     10.5867                 0.0593                 3.4040
 RamAct Fr= 1--      0.9883                 0.0236                 2.9838
  Dep-P Fr= 1--      0.2899                 0.7056                 0.0843
  Dep-U Fr= 1--      0.4495                 0.8274                 0.1555
 Alpha2 Fr= 1--      0.0104                 0.0000                 0.0543
 Beta2  Fr= 1--      0.0740                 0.0033                 0.0773
 AlphaG Fr= 1--      0.0064                -0.0011                -0.0071
 Gamma2 Fr= 1--      0.6914                -0.1719                 0.1279
 Delta2 Fr= 1--      0.1971                -0.0315                -0.0837
 Raman1 Fr= 1--       3.953                  0.094                 11.935
 ROA1   Fr= 1--      72.677                -17.509                  9.600
 CID1   Fr= 1--      18.384               -185.606                  0.804
 Raman2 Fr= 1--       0.889                  0.039                  0.928
 ROA2   Fr= 1--      15.016                 -3.874                  3.740
 CID2   Fr= 1--      16.899                -99.263                  4.029
 Raman3 Fr= 1--       1.777                  0.078                  1.856
 ROA3   Fr= 1--      72.677                -17.509                  9.600
 CID3   Fr= 1--      40.895               -224.329                  5.171
 RC180  Fr= 1--      -0.101                  0.655                 -0.689
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.03  -0.03     0.01   0.05  -0.20    -0.04   0.03   0.02
     2   6    -0.02   0.10  -0.06    -0.02  -0.05   0.21    -0.04   0.10   0.01
     3   6    -0.01   0.06   0.06     0.00  -0.00   0.01     0.06   0.06  -0.00
     4   6    -0.09   0.06  -0.06     0.01   0.05  -0.21    -0.06   0.00   0.01
     5   6    -0.10  -0.00  -0.05    -0.02  -0.05   0.20    -0.08  -0.05  -0.01
     6   6    -0.09  -0.04   0.07    -0.01  -0.00   0.00    -0.12  -0.03  -0.03
     7   6     0.04  -0.01   0.09     0.01  -0.00  -0.00     0.18  -0.11  -0.06
     8   7     0.24  -0.02  -0.09     0.01  -0.00  -0.00     0.07  -0.13   0.19
     9   6     0.01  -0.11   0.07     0.00   0.00  -0.00     0.03   0.10  -0.15
    10   1     0.18   0.36   0.25     0.00   0.03   0.06     0.08  -0.17   0.27
    11   1     0.07  -0.04   0.12     0.02  -0.01   0.00     0.26  -0.11  -0.09
    12   1     0.02  -0.22   0.22    -0.00   0.01  -0.01     0.04   0.25  -0.36
    13   1     0.01  -0.18  -0.06     0.00   0.01   0.00    -0.21   0.14   0.16
    14   1     0.01  -0.12   0.05     0.00   0.00  -0.01     0.01   0.29  -0.32
    15   1    -0.15   0.10  -0.12     0.02   0.11  -0.44    -0.17   0.05   0.03
    16   1    -0.11   0.00  -0.11    -0.03  -0.11   0.43    -0.07  -0.04  -0.00
    17   1    -0.09  -0.10   0.16    -0.01  -0.00   0.01    -0.12  -0.05  -0.06
    18   1     0.04   0.02  -0.07     0.03   0.11  -0.44     0.05  -0.02   0.04
    19   1    -0.01   0.12  -0.16    -0.03  -0.10   0.43    -0.07   0.07   0.02
    20   1     0.03  -0.48  -0.23    -0.04  -0.04  -0.02    -0.01   0.20   0.21
                     10                     11                     12
                      A                      A                      A
 Frequencies --    549.3697               600.3454               638.3303
 Red. masses --      3.0269                 3.1719                 6.3917
 Frc consts  --      0.5382                 0.6736                 1.5345
 IR Inten    --     14.2941                14.8649                 0.1232
 RamAct Fr= 1--      0.5827                 1.2936                 4.3004
  Dep-P Fr= 1--      0.2354                 0.6011                 0.7429
  Dep-U Fr= 1--      0.3810                 0.7509                 0.8525
 Alpha2 Fr= 1--      0.0072                 0.0036                 0.0005
 Beta2  Fr= 1--      0.0370                 0.1619                 0.6110
 AlphaG Fr= 1--     -0.0002                 0.0024                -0.0040
 Gamma2 Fr= 1--      0.1626                -0.1941                -0.0622
 Delta2 Fr= 1--      0.0143                -0.1630                -0.0628
 Raman1 Fr= 1--       2.331                  5.175                 17.202
 ROA1   Fr= 1--      16.064                -23.849                 -7.982
 CID1   Fr= 1--       6.892                 -4.609                 -0.464
 Raman2 Fr= 1--       0.444                  1.943                  7.332
 ROA2   Fr= 1--       3.787                 -3.354                 -0.990
 CID2   Fr= 1--       8.527                 -1.726                 -0.135
 Raman3 Fr= 1--       0.888                  3.885                 14.665
 ROA3   Fr= 1--      16.064                -23.849                 -7.982
 CID3   Fr= 1--      18.088                 -6.138                 -0.544
 RC180  Fr= 1--      -0.238                  0.502                  0.705
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.03  -0.13    -0.07   0.07   0.03    -0.22  -0.26  -0.07
     2   6    -0.02  -0.02   0.04    -0.02   0.02  -0.01    -0.26   0.18   0.02
     3   6     0.00  -0.08   0.27     0.16  -0.02  -0.02    -0.01   0.13   0.03
     4   6     0.01  -0.04   0.05     0.04  -0.16  -0.05     0.21   0.22   0.06
     5   6     0.02   0.02  -0.14     0.02  -0.10  -0.01     0.29  -0.21  -0.03
     6   6    -0.03  -0.05   0.18    -0.16   0.01  -0.03     0.01  -0.14  -0.04
     7   6     0.02   0.03  -0.05     0.17   0.20   0.12     0.00   0.01   0.01
     8   7    -0.08   0.03  -0.01    -0.08   0.05  -0.05    -0.01   0.04  -0.01
     9   6     0.07   0.03  -0.08    -0.01   0.00   0.02    -0.01  -0.00   0.02
    10   1    -0.05  -0.14  -0.02    -0.02  -0.43  -0.10    -0.00   0.01  -0.03
    11   1     0.09   0.07  -0.12     0.14   0.18   0.16     0.03   0.02   0.01
    12   1     0.15   0.06  -0.14    -0.26  -0.17   0.33    -0.01  -0.02   0.05
    13   1     0.14   0.06  -0.09    -0.09  -0.12  -0.12    -0.00  -0.01   0.00
    14   1     0.07   0.03   0.05     0.03  -0.08  -0.32    -0.01  -0.01   0.02
    15   1     0.02   0.04  -0.24    -0.04  -0.13  -0.00     0.06   0.28   0.08
    16   1     0.06   0.12  -0.48     0.17   0.00   0.07     0.16  -0.31  -0.03
    17   1    -0.03  -0.04   0.21    -0.16   0.04  -0.01    -0.04   0.28   0.06
    18   1     0.01   0.11  -0.48    -0.00   0.03   0.08    -0.06  -0.33  -0.06
    19   1    -0.02   0.03  -0.25    -0.17  -0.11  -0.01    -0.14   0.26   0.06
    20   1    -0.11   0.11  -0.02    -0.15  -0.15  -0.11    -0.01  -0.01  -0.02
                     13                     14                     15
                      A                      A                      A
 Frequencies --    716.6841               768.9730               779.6976
 Red. masses --      1.7146                 3.2334                 1.9162
 Frc consts  --      0.5189                 1.1265                 0.6864
 IR Inten    --     44.9095                 9.0837                26.8328
 RamAct Fr= 1--      0.1187                18.9725                 1.3295
  Dep-P Fr= 1--      0.2634                 0.0181                 0.7500
  Dep-U Fr= 1--      0.4169                 0.0356                 0.8571
 Alpha2 Fr= 1--      0.0014                 0.4041                 0.0000
 Beta2  Fr= 1--      0.0083                 0.1127                 0.1899
 AlphaG Fr= 1--     -0.0012                -0.0512                 0.0000
 Gamma2 Fr= 1--     -0.0529                 0.3289                 0.4649
 Delta2 Fr= 1--     -0.0018                 0.2842                -0.0722
 Raman1 Fr= 1--       0.475                 75.890                  5.318
 ROA1   Fr= 1--      -5.135                 40.666                 42.323
 CID1   Fr= 1--     -10.812                  0.536                  7.958
 Raman2 Fr= 1--       0.099                  1.352                  2.279
 ROA2   Fr= 1--      -1.255                  5.619                 11.736
 CID2   Fr= 1--     -12.678                  4.155                  5.149
 Raman3 Fr= 1--       0.198                  2.704                  4.558
 ROA3   Fr= 1--      -5.135                 40.666                 42.323
 CID3   Fr= 1--     -25.932                 15.037                  9.285
 RC180  Fr= 1--      -0.166                 -0.929                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.03  -0.14     0.07   0.18   0.04     0.01   0.01   0.02
     2   6    -0.01  -0.02   0.07     0.04   0.16   0.06     0.01   0.03  -0.08
     3   6     0.01   0.02  -0.09     0.10   0.02  -0.03    -0.00  -0.05   0.21
     4   6    -0.00  -0.01   0.07     0.07  -0.12  -0.01     0.01   0.01  -0.09
     5   6     0.01   0.04  -0.14     0.09  -0.14  -0.04     0.01  -0.02   0.00
     6   6    -0.00  -0.02   0.06    -0.15  -0.03   0.01    -0.01   0.03  -0.13
     7   6     0.00  -0.00   0.00    -0.13  -0.11  -0.09    -0.02  -0.02  -0.01
     8   7     0.01  -0.00   0.00    -0.03   0.00  -0.04    -0.02   0.02  -0.01
     9   6    -0.00   0.00  -0.00    -0.08  -0.04   0.08     0.01  -0.00  -0.03
    10   1     0.00   0.01   0.02    -0.08   0.45   0.01    -0.02  -0.01  -0.01
    11   1    -0.02  -0.00   0.01    -0.10  -0.08  -0.12     0.04   0.02  -0.08
    12   1    -0.03  -0.01   0.02     0.14   0.06  -0.12     0.12   0.04  -0.11
    13   1    -0.02  -0.01   0.00     0.03   0.05   0.16     0.08   0.04  -0.02
    14   1     0.00  -0.00  -0.03    -0.11   0.00   0.41    -0.01   0.01   0.14
    15   1    -0.03  -0.12   0.50    -0.04  -0.07  -0.02    -0.00  -0.02   0.03
    16   1    -0.02  -0.06   0.23     0.26   0.00  -0.08    -0.01  -0.13   0.53
    17   1    -0.04  -0.14   0.56    -0.14  -0.03  -0.09    -0.05  -0.14   0.52
    18   1    -0.01  -0.05   0.20     0.31   0.10  -0.06    -0.01  -0.11   0.49
    19   1    -0.02  -0.10   0.46    -0.05   0.10   0.02    -0.00   0.01  -0.02
    20   1    -0.00  -0.02  -0.01     0.07   0.27   0.04    -0.03   0.01  -0.01
                     16                     17                     18
                      A                      A                      A
 Frequencies --    842.9749               864.3076               921.9632
 Red. masses --      1.3856                 1.2554                 2.0579
 Frc consts  --      0.5801                 0.5525                 1.0306
 IR Inten    --     95.5088                 3.2954                 3.0032
 RamAct Fr= 1--      2.0417                 1.8437                 6.0890
  Dep-P Fr= 1--      0.3855                 0.7466                 0.5660
  Dep-U Fr= 1--      0.5565                 0.8550                 0.7228
 Alpha2 Fr= 1--      0.0159                 0.0001                 0.0212
 Beta2  Fr= 1--      0.1894                 0.2627                 0.7336
 AlphaG Fr= 1--      0.0242                 0.0001                 0.0032
 Gamma2 Fr= 1--     -1.2892                 1.0762                 1.1451
 Delta2 Fr= 1--     -0.8329                 0.9420                -0.4135
 Raman1 Fr= 1--       8.167                  7.375                 24.356
 ROA1   Fr= 1--    -150.418                133.461                 96.696
 CID1   Fr= 1--     -18.418                 18.096                  3.970
 Raman2 Fr= 1--       2.272                  3.153                  8.803
 ROA2   Fr= 1--     -24.278                 18.293                 30.791
 CID2   Fr= 1--     -10.685                  5.802                  3.498
 Raman3 Fr= 1--       4.544                  6.305                 17.605
 ROA3   Fr= 1--    -150.418                133.461                 96.696
 CID3   Fr= 1--     -33.100                 21.167                  5.492
 RC180  Fr= 1--       0.113                  0.710                  0.446
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01  -0.02     0.01   0.02  -0.08    -0.03  -0.05  -0.00
     2   6    -0.00  -0.02  -0.02     0.00   0.02  -0.05    -0.01  -0.04   0.03
     3   6     0.00  -0.00   0.02    -0.00   0.00  -0.01     0.04   0.01  -0.02
     4   6    -0.00  -0.01   0.01    -0.00  -0.02   0.07    -0.01   0.01   0.06
     5   6     0.01  -0.00   0.01    -0.01  -0.02   0.07    -0.05   0.05  -0.01
     6   6     0.00   0.01  -0.01    -0.00   0.00  -0.01     0.02   0.01  -0.05
     7   6    -0.01   0.08   0.01     0.00  -0.02  -0.00     0.14  -0.03  -0.09
     8   7    -0.01  -0.13  -0.03     0.00   0.03   0.01    -0.03   0.05  -0.09
     9   6     0.01   0.05  -0.01    -0.00  -0.01   0.01    -0.03  -0.08   0.16
    10   1    -0.06   0.47   0.25     0.01  -0.09  -0.04    -0.04   0.11   0.11
    11   1     0.05  -0.07   0.21    -0.01   0.01  -0.04     0.24   0.00  -0.15
    12   1    -0.10  -0.11   0.24     0.02   0.02  -0.05    -0.07   0.07  -0.02
    13   1     0.09  -0.05  -0.26    -0.02   0.01   0.06    -0.26  -0.02   0.49
    14   1     0.04  -0.11  -0.10    -0.01   0.03   0.02    -0.05   0.11   0.01
    15   1     0.01   0.03  -0.13     0.03   0.12  -0.48     0.00   0.10  -0.26
    16   1     0.01   0.02  -0.07     0.03   0.12  -0.47    -0.10  -0.01   0.08
    17   1    -0.00   0.01   0.06    -0.01  -0.02   0.07    -0.00  -0.09   0.31
    18   1    -0.04  -0.04   0.12    -0.03  -0.12   0.52    -0.08  -0.01  -0.10
    19   1    -0.02  -0.05   0.08    -0.02  -0.08   0.41    -0.01  -0.00  -0.23
    20   1     0.10   0.60   0.15    -0.03  -0.12  -0.03    -0.13   0.44  -0.05
                     19                     20                     21
                      A                      A                      A
 Frequencies --    934.0109               968.6877               990.1679
 Red. masses --      1.4990                 1.3062                 1.2879
 Frc consts  --      0.7704                 0.7221                 0.7439
 IR Inten    --      4.0049                 0.0239                 1.1194
 RamAct Fr= 1--      1.1179                 0.0340                 0.3883
  Dep-P Fr= 1--      0.7269                 0.5372                 0.2730
  Dep-U Fr= 1--      0.8419                 0.6989                 0.4289
 Alpha2 Fr= 1--      0.0004                 0.0001                 0.0043
 Beta2  Fr= 1--      0.1568                 0.0040                 0.0278
 AlphaG Fr= 1--     -0.0042                 0.0040                -0.0048
 Gamma2 Fr= 1--     -1.3828                 0.1740                 0.4244
 Delta2 Fr= 1--      0.1918                -0.0743                -0.2169
 Raman1 Fr= 1--       4.471                  0.136                  1.553
 ROA1   Fr= 1--    -126.608                 14.321                 33.799
 CID1   Fr= 1--     -28.315                105.395                 21.762
 Raman2 Fr= 1--       1.882                  0.047                  0.333
 ROA2   Fr= 1--     -34.721                  4.769                 11.920
 CID2   Fr= 1--     -18.447                100.438                 35.788
 Raman3 Fr= 1--       3.764                  0.095                  0.666
 ROA3   Fr= 1--    -126.608                 14.321                 33.799
 CID3   Fr= 1--     -33.633                150.791                 50.736
 RC180  Fr= 1--       0.684                  0.398                 -0.142
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02   0.04    -0.00  -0.00   0.02    -0.01  -0.03   0.10
     2   6    -0.00   0.00   0.07     0.00   0.01  -0.06     0.01   0.02  -0.10
     3   6    -0.02   0.01  -0.08    -0.00  -0.00   0.01     0.00  -0.00   0.02
     4   6    -0.00  -0.03   0.10    -0.00  -0.02   0.08     0.00   0.00   0.00
     5   6     0.02  -0.01  -0.03     0.01   0.03  -0.11    -0.00  -0.00   0.02
     6   6     0.00   0.02  -0.09    -0.01  -0.02   0.06    -0.01   0.01  -0.04
     7   6    -0.05   0.01   0.02     0.00   0.00  -0.00     0.00  -0.00   0.00
     8   7     0.02  -0.02   0.04     0.00   0.00   0.00    -0.00   0.01  -0.01
     9   6     0.01   0.03  -0.04    -0.00   0.00   0.00    -0.00  -0.00  -0.01
    10   1     0.03  -0.06  -0.06     0.01  -0.02   0.00    -0.00   0.00   0.02
    11   1    -0.15  -0.02   0.08     0.01  -0.00  -0.00     0.03   0.00  -0.01
    12   1    -0.03  -0.04   0.06     0.01   0.00  -0.00     0.02   0.01  -0.02
    13   1     0.05  -0.02  -0.16     0.01   0.01  -0.01     0.01   0.01   0.01
    14   1     0.03  -0.05  -0.08    -0.01  -0.00   0.03    -0.01   0.01   0.04
    15   1     0.04   0.12  -0.53     0.03   0.12  -0.49    -0.00  -0.01   0.05
    16   1     0.03  -0.03   0.09    -0.04  -0.16   0.65     0.01   0.04  -0.14
    17   1    -0.04  -0.14   0.55     0.02   0.10  -0.41    -0.03  -0.07   0.29
    18   1     0.06   0.07  -0.23    -0.00   0.00  -0.02     0.03   0.15  -0.62
    19   1     0.03   0.11  -0.34    -0.01  -0.06   0.28    -0.02  -0.15   0.66
    20   1     0.06  -0.21   0.03    -0.01  -0.01  -0.01    -0.02   0.01  -0.01
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1005.2777              1025.6755              1053.7685
 Red. masses --      1.6119                 6.0827                 2.2093
 Frc consts  --      0.9598                 3.7702                 1.4454
 IR Inten    --      3.0317                 0.0127                 6.1476
 RamAct Fr= 1--      7.8577                57.5738                22.4787
  Dep-P Fr= 1--      0.4507                 0.0444                 0.0363
  Dep-U Fr= 1--      0.6213                 0.0850                 0.0701
 Alpha2 Fr= 1--      0.0480                 1.1526                 0.4587
 Beta2  Fr= 1--      0.8137                 0.8152                 0.2626
 AlphaG Fr= 1--     -0.0239                 0.0598                 0.0062
 Gamma2 Fr= 1--      1.5240                -0.4147                -0.2945
 Delta2 Fr= 1--      0.6606                -0.0943                 0.0179
 Raman1 Fr= 1--      31.431                230.295                 89.915
 ROA1   Fr= 1--     167.440                -42.833                -27.697
 CID1   Fr= 1--       5.327                 -0.186                 -0.308
 Raman2 Fr= 1--       9.765                  9.783                  3.151
 ROA2   Fr= 1--      31.290                 -9.199                 -7.210
 CID2   Fr= 1--       3.204                 -0.940                 -2.288
 Raman3 Fr= 1--      19.529                 19.566                  6.302
 ROA3   Fr= 1--     167.440                -42.833                -27.697
 CID3   Fr= 1--       8.574                 -2.189                 -4.395
 RC180  Fr= 1--       0.243                 -0.830                 -0.860
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.02  -0.01    -0.01  -0.04  -0.01     0.00   0.19   0.05
     2   6     0.01  -0.03   0.00    -0.24   0.31   0.05    -0.04  -0.08  -0.03
     3   6     0.02   0.01  -0.02     0.01  -0.01   0.01    -0.03  -0.01   0.00
     4   6     0.00   0.01   0.00    -0.14  -0.34  -0.10    -0.05   0.07   0.01
     5   6    -0.01   0.01   0.00    -0.03   0.04   0.01     0.05  -0.18  -0.04
     6   6    -0.02   0.00  -0.00     0.38   0.04   0.03     0.13   0.01   0.01
     7   6     0.03   0.08  -0.10     0.03   0.01  -0.04     0.02   0.01  -0.02
     8   7     0.07  -0.06   0.04     0.02  -0.01   0.00     0.01  -0.00  -0.00
     9   6    -0.14   0.03   0.04    -0.02   0.01   0.02     0.00  -0.00   0.02
    10   1     0.11  -0.45   0.13     0.03  -0.12   0.05     0.02  -0.07   0.02
    11   1     0.12   0.11  -0.18    -0.03   0.02  -0.03     0.02   0.01  -0.03
    12   1     0.17  -0.07   0.10    -0.01  -0.03   0.07    -0.02  -0.00   0.02
    13   1     0.29   0.08  -0.26     0.02  -0.00  -0.03    -0.02  -0.01   0.03
    14   1    -0.15  -0.14   0.62    -0.02  -0.03   0.06     0.00   0.01  -0.02
    15   1    -0.01   0.02   0.02    -0.11  -0.38  -0.08    -0.37   0.20   0.03
    16   1    -0.01   0.02  -0.02    -0.03   0.02  -0.01    -0.25  -0.41  -0.12
    17   1    -0.02   0.02   0.03     0.40   0.02   0.04     0.14  -0.00   0.01
    18   1    -0.04  -0.01  -0.01     0.00  -0.02  -0.04    -0.34   0.34   0.05
    19   1     0.01  -0.02  -0.04    -0.24   0.31   0.13    -0.33  -0.30  -0.06
    20   1    -0.14   0.06  -0.02    -0.06   0.07  -0.02    -0.03   0.04  -0.01
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1067.0634              1106.8477              1133.0728
 Red. masses --      1.6760                 1.6605                 2.1414
 Frc consts  --      1.1243                 1.1986                 1.6198
 IR Inten    --     10.7573                 4.6372                12.0688
 RamAct Fr= 1--      4.9915                 7.7406                 4.8700
  Dep-P Fr= 1--      0.1795                 0.1302                 0.5581
  Dep-U Fr= 1--      0.3043                 0.2304                 0.7164
 Alpha2 Fr= 1--      0.0715                 0.1258                 0.0178
 Beta2  Fr= 1--      0.2532                 0.2973                 0.5815
 AlphaG Fr= 1--      0.0053                 0.0557                 0.0706
 Gamma2 Fr= 1--      0.8926                 1.8926                -3.6405
 Delta2 Fr= 1--     -0.4739                 0.7489                -0.8053
 Raman1 Fr= 1--      19.966                 30.963                 19.480
 ROA1   Fr= 1--      70.529                205.656               -375.260
 CID1   Fr= 1--       3.532                  6.642                -19.264
 Raman2 Fr= 1--       3.038                  3.568                  6.978
 ROA2   Fr= 1--      25.214                 39.431                -80.931
 CID2   Fr= 1--       8.300                 11.053                -11.598
 Raman3 Fr= 1--       6.076                  7.135                 13.956
 ROA3   Fr= 1--      70.529                205.656               -375.260
 CID3   Fr= 1--      11.608                 28.823                -26.889
 RC180  Fr= 1--      -0.391                 -0.539                  0.433
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.05   0.01    -0.02  -0.02  -0.01     0.04   0.04   0.01
     2   6    -0.04   0.04  -0.00     0.09  -0.01  -0.00    -0.05   0.01  -0.01
     3   6    -0.03  -0.07   0.02    -0.08   0.01   0.03    -0.08  -0.03   0.03
     4   6     0.04   0.06   0.01    -0.08  -0.04  -0.02     0.05   0.01  -0.00
     5   6    -0.03   0.03   0.01     0.08  -0.05  -0.01     0.01   0.01   0.00
     6   6    -0.02  -0.05  -0.01    -0.03   0.06   0.01    -0.02  -0.04  -0.01
     7   6     0.02  -0.11  -0.10    -0.02  -0.00  -0.10    -0.06   0.19  -0.11
     8   7     0.02   0.06  -0.00     0.03  -0.01   0.01     0.04  -0.12   0.03
     9   6     0.02   0.09   0.06     0.04   0.02   0.07     0.06  -0.06   0.07
    10   1     0.05  -0.31   0.04     0.05  -0.18   0.03     0.05  -0.06   0.05
    11   1    -0.28  -0.21   0.15    -0.14  -0.01  -0.05    -0.14   0.35  -0.34
    12   1    -0.24  -0.15   0.44    -0.18  -0.02   0.18    -0.16   0.10  -0.08
    13   1    -0.02  -0.11  -0.24    -0.14  -0.08   0.06    -0.24  -0.03   0.36
    14   1     0.07  -0.18  -0.22     0.06  -0.01  -0.24     0.04   0.17  -0.24
    15   1     0.21  -0.02   0.05    -0.33   0.04   0.03     0.34  -0.12   0.03
    16   1    -0.11  -0.03  -0.01     0.28   0.08   0.04    -0.01  -0.00   0.00
    17   1     0.01  -0.26  -0.08    -0.08   0.43   0.10     0.01  -0.23  -0.06
    18   1     0.19  -0.02   0.01    -0.16   0.03   0.01     0.23  -0.03   0.00
    19   1    -0.10  -0.01   0.04     0.46   0.26   0.11    -0.16  -0.07   0.03
    20   1    -0.21   0.17  -0.08    -0.08   0.01  -0.03     0.11  -0.17   0.06
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1183.7048              1198.9037              1205.9546
 Red. masses --      1.1191                 1.3368                 1.6553
 Frc consts  --      0.9239                 1.1321                 1.4183
 IR Inten    --      0.2006                 2.0854                 1.7705
 RamAct Fr= 1--      3.9517                11.2136                 6.3683
  Dep-P Fr= 1--      0.7428                 0.1579                 0.1284
  Dep-U Fr= 1--      0.8524                 0.2728                 0.2276
 Alpha2 Fr= 1--      0.0005                 0.1699                 0.1039
 Beta2  Fr= 1--      0.5614                 0.5098                 0.2416
 AlphaG Fr= 1--     -0.0000                 0.0609                 0.0291
 Gamma2 Fr= 1--      0.2165                 0.4161                -0.0251
 Delta2 Fr= 1--      0.1250                 0.7598                 0.0210
 Raman1 Fr= 1--      15.807                 44.855                 25.473
 ROA1   Fr= 1--      24.785                 64.260                 -1.736
 CID1   Fr= 1--       1.568                  1.433                 -0.068
 Raman2 Fr= 1--       6.737                  6.117                  2.899
 ROA2   Fr= 1--       4.196                  3.909                 -0.770
 CID2   Fr= 1--       0.623                  0.639                 -0.266
 Raman3 Fr= 1--      13.474                 12.235                  5.798
 ROA3   Fr= 1--      24.785                 64.260                 -1.736
 CID3   Fr= 1--       1.839                  5.252                 -0.299
 RC180  Fr= 1--       0.705                 -0.454                 -0.545
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.02  -0.00    -0.01   0.05   0.01    -0.07  -0.02  -0.01
     2   6    -0.00  -0.01  -0.00     0.01   0.02   0.01     0.06   0.03   0.01
     3   6     0.01   0.00   0.00    -0.11  -0.01  -0.02     0.15   0.01   0.03
     4   6     0.01  -0.01  -0.00     0.04  -0.02  -0.00     0.05  -0.01  -0.00
     5   6    -0.04  -0.03  -0.01    -0.01  -0.05  -0.01    -0.07   0.01  -0.00
     6   6    -0.01   0.07   0.02    -0.01   0.00  -0.00     0.01   0.00   0.00
     7   6    -0.00  -0.01  -0.01     0.03   0.01   0.06    -0.04  -0.01  -0.08
     8   7    -0.00   0.00   0.00     0.02   0.01  -0.03    -0.03  -0.02   0.04
     9   6     0.00   0.01   0.00    -0.01  -0.03  -0.02     0.01   0.04   0.03
    10   1    -0.00   0.01  -0.01     0.03  -0.14   0.12    -0.05   0.25  -0.17
    11   1    -0.01  -0.01  -0.01     0.09  -0.04   0.13    -0.08   0.05  -0.17
    12   1    -0.01  -0.01   0.03     0.09   0.04  -0.14    -0.11  -0.05   0.18
    13   1    -0.01  -0.01  -0.01     0.04   0.03   0.03    -0.05  -0.04  -0.05
    14   1     0.01  -0.01  -0.01    -0.02   0.04   0.04     0.02  -0.06  -0.05
    15   1     0.13  -0.06  -0.01     0.54  -0.23  -0.03     0.17  -0.05   0.01
    16   1    -0.38  -0.27  -0.09    -0.26  -0.24  -0.08    -0.41  -0.24  -0.09
    17   1    -0.09   0.66   0.16    -0.01   0.02   0.00     0.01  -0.02  -0.00
    18   1     0.44  -0.19  -0.02    -0.23   0.14   0.02    -0.52   0.16   0.00
    19   1    -0.15  -0.12  -0.03     0.40   0.32   0.07     0.19   0.12   0.06
    20   1     0.01  -0.02   0.00    -0.10   0.21  -0.04     0.17  -0.33   0.06
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1258.1689              1333.4907              1355.1139
 Red. masses --      1.4603                 2.8708                 1.7307
 Frc consts  --      1.3620                 3.0076                 1.8725
 IR Inten    --      0.5012                 6.5239                 4.6620
 RamAct Fr= 1--     14.8740                 1.8675                 0.3889
  Dep-P Fr= 1--      0.1811                 0.1745                 0.5899
  Dep-U Fr= 1--      0.3067                 0.2972                 0.7421
 Alpha2 Fr= 1--      0.2123                 0.0271                 0.0012
 Beta2  Fr= 1--      0.7602                 0.0925                 0.0481
 AlphaG Fr= 1--     -0.1955                 0.0386                -0.0032
 Gamma2 Fr= 1--     -1.9059                -1.0400                -0.4408
 Delta2 Fr= 1--      0.1061                -0.1459                 0.1929
 Raman1 Fr= 1--      59.496                  7.470                  1.556
 ROA1   Fr= 1--    -179.570               -104.508                -36.143
 CID1   Fr= 1--      -3.018                -13.991                -23.234
 Raman2 Fr= 1--       9.123                  1.110                  0.577
 ROA2   Fr= 1--     -46.590                -23.793                -12.122
 CID2   Fr= 1--      -5.107                -21.437                -21.003
 Raman3 Fr= 1--      18.246                  2.220                  1.154
 ROA3   Fr= 1--    -179.570               -104.508                -36.143
 CID3   Fr= 1--      -9.842                -47.080                -31.310
 RC180  Fr= 1--      -0.387                 -0.406                  0.484
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.01   0.01     0.12  -0.09  -0.01    -0.06   0.00  -0.00
     2   6    -0.03  -0.04  -0.01    -0.06  -0.07  -0.02     0.13   0.06   0.02
     3   6    -0.11   0.07   0.01     0.04   0.24   0.06     0.01   0.02   0.01
     4   6    -0.00  -0.03  -0.01     0.12  -0.07  -0.01    -0.13   0.03  -0.00
     5   6     0.01  -0.04  -0.01    -0.12  -0.08  -0.03     0.05   0.03   0.01
     6   6    -0.00   0.02   0.00    -0.01   0.11   0.03     0.02  -0.12  -0.03
     7   6     0.05  -0.04  -0.05    -0.13   0.00  -0.03    -0.04   0.01  -0.02
     8   7    -0.04   0.02   0.04     0.06   0.02  -0.00     0.01   0.01   0.01
     9   6    -0.01   0.06   0.03     0.04  -0.03  -0.01     0.01  -0.01  -0.00
    10   1    -0.06   0.29  -0.17     0.08  -0.31   0.08     0.02  -0.08  -0.01
    11   1     0.69  -0.08  -0.16    -0.05  -0.29   0.39     0.12  -0.15   0.17
    12   1    -0.03  -0.07   0.22    -0.08   0.06  -0.11    -0.06   0.01  -0.02
    13   1     0.02  -0.02  -0.13    -0.10  -0.06   0.08    -0.03  -0.01   0.04
    14   1     0.02  -0.11  -0.01     0.01   0.07  -0.04    -0.00   0.05   0.02
    15   1     0.24  -0.14  -0.01     0.12  -0.07  -0.01     0.49  -0.23  -0.02
    16   1     0.19   0.08   0.03     0.21   0.16   0.06     0.17   0.11   0.04
    17   1     0.01  -0.06  -0.01     0.01  -0.07  -0.02    -0.05   0.32   0.08
    18   1     0.03   0.02   0.01    -0.39   0.12   0.00    -0.25   0.08   0.00
    19   1    -0.03  -0.04  -0.01    -0.23  -0.19  -0.06    -0.44  -0.36  -0.10
    20   1     0.15  -0.31   0.05    -0.19   0.18  -0.07    -0.05   0.03  -0.02
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1369.3149              1402.6143              1406.7730
 Red. masses --      1.3650                 1.5103                 1.2486
 Frc consts  --      1.5080                 1.7506                 1.4558
 IR Inten    --     10.7845                10.7972                10.8510
 RamAct Fr= 1--     10.7527                 5.0091                 0.8632
  Dep-P Fr= 1--      0.4110                 0.1918                 0.6972
  Dep-U Fr= 1--      0.5826                 0.3219                 0.8216
 Alpha2 Fr= 1--      0.0765                 0.0695                 0.0008
 Beta2  Fr= 1--      1.0441                 0.2687                 0.1182
 AlphaG Fr= 1--      0.0106                 0.1073                -0.0017
 Gamma2 Fr= 1--      1.9939                 0.3598                 0.0918
 Delta2 Fr= 1--     -0.3322                -0.9421                 0.1383
 Raman1 Fr= 1--      43.011                 20.036                  3.453
 ROA1   Fr= 1--     180.783                  4.394                 13.239
 CID1   Fr= 1--       4.203                  0.219                  3.834
 Raman2 Fr= 1--      12.529                  3.225                  1.418
 ROA2   Fr= 1--      50.511                 16.172                  1.096
 CID2   Fr= 1--       4.032                  5.015                  0.773
 Raman3 Fr= 1--      25.057                  6.449                  2.837
 ROA3   Fr= 1--     180.783                  4.394                 13.239
 CID3   Fr= 1--       7.215                  0.681                  4.667
 RC180  Fr= 1--       0.165                 -0.356                  0.643
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.02   0.00    -0.06   0.01  -0.00     0.02  -0.00   0.00
     2   6    -0.01  -0.00  -0.00     0.01  -0.00   0.00    -0.01  -0.00  -0.00
     3   6    -0.00  -0.04   0.01     0.04  -0.03  -0.02    -0.02   0.01   0.00
     4   6     0.00   0.00  -0.00     0.01  -0.02  -0.00    -0.00   0.01   0.00
     5   6     0.02   0.02   0.00     0.04   0.04   0.01    -0.01  -0.02  -0.00
     6   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     7   6     0.03   0.09  -0.12    -0.16   0.00   0.03     0.05  -0.01   0.01
     8   7    -0.01   0.01   0.04     0.04   0.02  -0.01    -0.01  -0.01  -0.00
     9   6    -0.02  -0.05  -0.01     0.07   0.02  -0.04     0.04   0.02  -0.13
    10   1    -0.02   0.11  -0.12     0.06  -0.22   0.07    -0.01   0.04   0.02
    11   1     0.07  -0.48   0.72     0.69  -0.09  -0.08    -0.23   0.07  -0.02
    12   1     0.00  -0.00  -0.07    -0.28  -0.03   0.12    -0.18  -0.31   0.42
    13   1     0.01   0.05   0.15    -0.24  -0.07   0.10    -0.27   0.17   0.46
    14   1    -0.06   0.11   0.14     0.04   0.02   0.16    -0.01  -0.06   0.52
    15   1    -0.12   0.05   0.02    -0.17   0.05  -0.01     0.07  -0.02  -0.01
    16   1    -0.09  -0.06  -0.02    -0.20  -0.14  -0.05     0.08   0.05   0.02
    17   1     0.01  -0.08  -0.02     0.02  -0.16  -0.04    -0.01   0.05   0.01
    18   1     0.14  -0.05  -0.00     0.17  -0.08  -0.01    -0.05   0.03   0.01
    19   1     0.10   0.07   0.03     0.09   0.05   0.00     0.00   0.01  -0.00
    20   1     0.07  -0.22   0.03    -0.14   0.14  -0.05     0.06  -0.01   0.03
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1489.4670              1491.9474              1497.0342
 Red. masses --      1.5024                 1.0977                 1.2822
 Frc consts  --      1.9638                 1.4396                 1.6931
 IR Inten    --      4.4660                12.4367                 0.8249
 RamAct Fr= 1--      2.8013                 4.9694                 3.5991
  Dep-P Fr= 1--      0.6382                 0.6462                 0.6094
  Dep-U Fr= 1--      0.7791                 0.7851                 0.7573
 Alpha2 Fr= 1--      0.0057                 0.0093                 0.0093
 Beta2  Fr= 1--      0.3638                 0.6502                 0.4543
 AlphaG Fr= 1--      0.0016                 0.0344                -0.0288
 Gamma2 Fr= 1--      5.0069                -1.4131                -2.4104
 Delta2 Fr= 1--     -1.4368                 0.9790                -0.3467
 Raman1 Fr= 1--      11.205                 19.878                 14.396
 ROA1   Fr= 1--     434.682               -104.324               -242.497
 CID1   Fr= 1--      38.793                 -5.248                -16.844
 Raman2 Fr= 1--       4.365                  7.803                  5.451
 ROA2   Fr= 1--     131.659                -41.746                -55.077
 CID2   Fr= 1--      30.162                 -5.350                -10.103
 Raman3 Fr= 1--       8.730                 15.606                 10.903
 ROA3   Fr= 1--     434.682               -104.324               -242.497
 CID3   Fr= 1--      49.791                 -6.685                -22.242
 RC180  Fr= 1--       0.558                  0.570                  0.515
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08   0.03   0.01     0.03   0.00   0.00     0.05   0.01   0.01
     2   6    -0.07   0.02   0.00    -0.02   0.01   0.00    -0.03   0.03   0.00
     3   6     0.02  -0.10  -0.02     0.00  -0.03  -0.01     0.01  -0.07  -0.02
     4   6     0.04   0.05   0.01     0.02   0.01   0.00     0.05   0.02   0.01
     5   6    -0.09  -0.01  -0.01    -0.03   0.00  -0.00    -0.05   0.01  -0.00
     6   6     0.02  -0.08  -0.02     0.00  -0.03  -0.01     0.00  -0.06  -0.02
     7   6     0.01   0.02   0.01    -0.02  -0.01   0.00    -0.06   0.03  -0.00
     8   7    -0.01   0.00   0.00     0.00   0.00   0.00     0.01   0.00   0.00
     9   6     0.04   0.00   0.01    -0.01  -0.05  -0.01    -0.03   0.02  -0.01
    10   1    -0.01   0.03   0.02     0.00   0.00  -0.03     0.01  -0.06   0.02
    11   1     0.11  -0.01   0.02     0.11   0.00  -0.07     0.23  -0.05   0.03
    12   1    -0.36   0.26  -0.24    -0.25  -0.16   0.24     0.57  -0.20   0.13
    13   1    -0.24  -0.31  -0.29     0.53   0.28   0.04    -0.04   0.19   0.33
    14   1     0.00  -0.01   0.32    -0.10   0.63  -0.14     0.07  -0.36  -0.34
    15   1    -0.05   0.09   0.02    -0.05   0.04   0.01    -0.11   0.09   0.01
    16   1     0.20   0.21   0.07     0.04   0.06   0.02     0.06   0.10   0.03
    17   1    -0.04   0.39   0.09    -0.02   0.13   0.03    -0.04   0.25   0.06
    18   1    -0.16   0.14   0.02    -0.08   0.05   0.01    -0.16   0.10   0.01
    19   1     0.09   0.15   0.04     0.02   0.04   0.01     0.01   0.06   0.02
    20   1     0.05  -0.04   0.02    -0.05   0.02  -0.01    -0.02   0.02  -0.01
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1532.7745              1629.4700              1647.3311
 Red. masses --      2.2230                 5.2150                 2.7491
 Frc consts  --      3.0772                 8.1582                 4.3954
 IR Inten    --      9.7686                 0.4861                 8.8226
 RamAct Fr= 1--      0.3696                 9.5115                36.3162
  Dep-P Fr= 1--      0.5255                 0.7438                 0.6276
  Dep-U Fr= 1--      0.6889                 0.8531                 0.7712
 Alpha2 Fr= 1--      0.0016                 0.0010                 0.0809
 Beta2  Fr= 1--      0.0424                 1.3524                 4.6680
 AlphaG Fr= 1--      0.0038                 0.0097                -0.0020
 Gamma2 Fr= 1--     -0.0758                -2.0220                 3.4293
 Delta2 Fr= 1--     -0.0556                -0.1168                -0.2690
 Raman1 Fr= 1--       1.478                 38.046                145.265
 ROA1   Fr= 1--      -9.055               -197.848                320.607
 CID1   Fr= 1--      -6.125                 -5.200                  2.207
 Raman2 Fr= 1--       0.509                 16.229                 56.016
 ROA2   Fr= 1--      -1.374                -47.593                 84.456
 CID2   Fr= 1--      -2.699                 -2.933                  1.508
 Raman3 Fr= 1--       1.019                 32.457                112.032
 ROA3   Fr= 1--      -9.055               -197.848                320.607
 CID3   Fr= 1--      -8.890                 -6.096                  2.862
 RC180  Fr= 1--       0.378                  0.706                  0.542
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.13   0.09   0.01     0.07  -0.18  -0.04    -0.18   0.04  -0.00
     2   6    -0.05  -0.10  -0.03     0.09   0.19   0.05     0.16   0.05   0.02
     3   6     0.14   0.02   0.01     0.03  -0.29  -0.07    -0.13   0.02  -0.00
     4   6    -0.08   0.08   0.02    -0.10   0.16   0.04     0.19  -0.05   0.00
     5   6    -0.10  -0.11  -0.03    -0.06  -0.21  -0.06    -0.15  -0.04  -0.02
     6   6     0.11   0.01   0.01    -0.03   0.33   0.08     0.09  -0.02   0.00
     7   6    -0.04  -0.00  -0.00    -0.02   0.03   0.00     0.01  -0.01  -0.01
     8   7     0.01  -0.00   0.00    -0.02   0.01  -0.01    -0.03   0.03  -0.04
     9   6    -0.01  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    10   1     0.01  -0.02  -0.03    -0.01  -0.06   0.16    -0.01  -0.21   0.51
    11   1    -0.03  -0.01   0.01     0.24  -0.03   0.00     0.01  -0.03  -0.00
    12   1     0.09  -0.04   0.03     0.01   0.00  -0.00    -0.02  -0.00   0.01
    13   1     0.04   0.05   0.06     0.01   0.01   0.01     0.03   0.01  -0.02
    14   1     0.00  -0.01  -0.10     0.00   0.00  -0.02    -0.01   0.03   0.00
    15   1     0.42  -0.11  -0.00     0.27   0.02   0.02    -0.23   0.13   0.02
    16   1     0.40   0.24   0.09     0.27   0.01   0.02     0.10   0.15   0.05
    17   1     0.13   0.02   0.01     0.08  -0.45  -0.11     0.09   0.04   0.02
    18   1     0.47  -0.15  -0.00    -0.19  -0.09  -0.03     0.19  -0.12  -0.02
    19   1     0.38   0.20   0.06    -0.28  -0.07  -0.03    -0.13  -0.18  -0.05
    20   1    -0.05   0.03  -0.02     0.17  -0.05   0.06     0.53  -0.12   0.16
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1655.8729              2942.9079              3028.5797
 Red. masses --      1.3941                 1.0824                 1.0373
 Frc consts  --      2.2521                 5.5233                 5.6058
 IR Inten    --     38.3326                54.7058                34.4198
 RamAct Fr= 1--     14.4588               103.9747               242.0498
  Dep-P Fr= 1--      0.5778                 0.2389                 0.0718
  Dep-U Fr= 1--      0.7324                 0.3856                 0.1339
 Alpha2 Fr= 1--      0.0468                 1.2711                 4.5383
 Beta2  Fr= 1--      1.7649                 6.6823                 5.4037
 AlphaG Fr= 1--      0.0704                 1.1635                 0.1841
 Gamma2 Fr= 1--     -0.9701                 0.8008                 1.7857
 Delta2 Fr= 1--     -0.3032                 1.2726                -0.9430
 Raman1 Fr= 1--      57.835                415.899                968.199
 ROA1   Fr= 1--    -102.830                117.601                141.247
 CID1   Fr= 1--      -1.778                  0.283                  0.146
 Raman2 Fr= 1--      21.179                 80.187                 64.845
 ROA2   Fr= 1--     -20.856                  9.038                 50.400
 CID2   Fr= 1--      -0.985                  0.113                  0.777
 Raman3 Fr= 1--      42.359                160.375                129.690
 ROA3   Fr= 1--    -102.830                117.601                141.247
 CID3   Fr= 1--      -2.428                  0.733                  1.089
 RC180  Fr= 1--       0.465                 -0.229                 -0.732
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     2   6    -0.07  -0.04  -0.01     0.00   0.00  -0.00     0.00  -0.00  -0.00
     3   6     0.06   0.02   0.01     0.00  -0.00  -0.00     0.00   0.00   0.00
     4   6    -0.08   0.01  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     5   6     0.07   0.03   0.01    -0.00   0.00   0.00    -0.00   0.00  -0.00
     6   6    -0.03  -0.01  -0.01     0.00   0.00   0.00    -0.00   0.00   0.00
     7   6    -0.02  -0.02  -0.02    -0.02  -0.07  -0.05    -0.00  -0.00  -0.00
     8   7    -0.04   0.04  -0.05     0.00  -0.00   0.00     0.00   0.00  -0.00
     9   6    -0.00  -0.00   0.01     0.00   0.01   0.00    -0.04  -0.01   0.03
    10   1    -0.01  -0.27   0.63    -0.01  -0.00   0.01    -0.00  -0.00   0.00
    11   1     0.02  -0.06   0.02     0.16   0.82   0.54     0.00   0.01   0.01
    12   1     0.00  -0.01   0.01    -0.01  -0.04  -0.03    -0.09  -0.39  -0.27
    13   1     0.05   0.02  -0.01     0.02  -0.02   0.01    -0.20   0.35  -0.19
    14   1    -0.01   0.03  -0.04    -0.04  -0.00  -0.00     0.74   0.12   0.06
    15   1     0.08  -0.06  -0.01    -0.01  -0.01  -0.01    -0.00  -0.00  -0.00
    16   1    -0.06  -0.06  -0.02    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    17   1    -0.04   0.01  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    18   1    -0.05   0.05   0.01    -0.00   0.00  -0.00     0.00   0.00   0.00
    19   1     0.08   0.08   0.02    -0.00   0.00   0.00    -0.00   0.00   0.00
    20   1     0.63  -0.13   0.19     0.01   0.00  -0.00     0.00  -0.00   0.00
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3092.5548              3113.9039              3156.2114
 Red. masses --      1.0981                 1.1026                 1.0866
 Frc consts  --      6.1877                 6.2992                 6.3775
 IR Inten    --     33.5439                17.8559                 8.1994
 RamAct Fr= 1--     98.4925                38.2376                47.9543
  Dep-P Fr= 1--      0.7380                 0.7320                 0.5077
  Dep-U Fr= 1--      0.8493                 0.8453                 0.6735
 Alpha2 Fr= 1--      0.0201                 0.0118                 0.2283
 Beta2  Fr= 1--     13.9410                 5.3870                 5.3829
 AlphaG Fr= 1--     -0.0078                -0.0551                -0.1356
 Gamma2 Fr= 1--     -0.2930                 0.2039                -0.8984
 Delta2 Fr= 1--      0.8501                 0.6104                 0.5425
 Raman1 Fr= 1--     393.970                152.951                191.817
 ROA1   Fr= 1--      -0.926                 39.105                -68.883
 CID1   Fr= 1--      -0.002                  0.256                 -0.359
 Raman2 Fr= 1--     167.292                 64.644                 64.595
 ROA2   Fr= 1--     -13.834                  0.010                -25.900
 CID2   Fr= 1--      -0.083                  0.000                 -0.401
 Raman3 Fr= 1--     334.583                129.287                129.189
 ROA3   Fr= 1--      -0.926                 39.105                -68.883
 CID3   Fr= 1--      -0.003                  0.302                 -0.533
 RC180  Fr= 1--       0.699                  0.691                  0.347
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.01  -0.00
     2   6     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     3   6     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     4   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.03  -0.07  -0.02
     5   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.02   0.03   0.01
     6   6    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.02   0.00   0.00
     7   6    -0.00  -0.00  -0.00    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00
     8   7     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     9   6    -0.08  -0.01  -0.05     0.02  -0.09  -0.00    -0.00  -0.00  -0.00
    10   1    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    11   1     0.01   0.03   0.02     0.01   0.05   0.03     0.01   0.01   0.01
    12   1     0.07   0.46   0.32     0.11   0.53   0.38     0.00   0.01   0.01
    13   1     0.20  -0.41   0.22    -0.32   0.58  -0.33    -0.00   0.01  -0.00
    14   1     0.63   0.10   0.04    -0.00  -0.02  -0.00     0.00   0.00  -0.00
    15   1    -0.00  -0.00  -0.00    -0.01  -0.01  -0.00     0.33   0.78   0.22
    16   1    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.25  -0.33  -0.07
    17   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.18  -0.02  -0.02
    18   1     0.00   0.00   0.00     0.00   0.00   0.00     0.05   0.11   0.03
    19   1     0.00  -0.00  -0.00     0.01  -0.01  -0.00     0.02  -0.03  -0.01
    20   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3167.2764              3177.6927              3190.1981
 Red. masses --      1.0865                 1.0909                 1.0944
 Frc consts  --      6.4217                 6.4903                 6.5626
 IR Inten    --      0.4947                22.3618                19.7780
 RamAct Fr= 1--    109.0772                91.4543               139.6171
  Dep-P Fr= 1--      0.6141                 0.7160                 0.1465
  Dep-U Fr= 1--      0.7609                 0.8345                 0.2556
 Alpha2 Fr= 1--      0.2721                 0.0537                 2.1775
 Beta2  Fr= 1--     13.8334                12.7199                 5.9471
 AlphaG Fr= 1--     -0.0616                -0.0242                -0.2335
 Gamma2 Fr= 1--      0.5176                -0.6433                 1.6578
 Delta2 Fr= 1--      0.0986                -0.5051                -2.8215
 Raman1 Fr= 1--     436.309                365.817                558.468
 ROA1   Fr= 1--      52.840                -77.924                 68.862
 CID1   Fr= 1--       0.121                 -0.213                  0.123
 Raman2 Fr= 1--     166.001                152.639                 71.365
 ROA2   Fr= 1--      11.633                -11.400                 62.359
 CID2   Fr= 1--       0.070                 -0.075                  0.874
 Raman3 Fr= 1--     332.003                305.277                142.730
 ROA3   Fr= 1--      52.840                -77.924                 68.862
 CID3   Fr= 1--       0.159                 -0.255                  0.482
 RC180  Fr= 1--       0.522                  0.669                 -0.489
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.05  -0.01    -0.02  -0.04  -0.01    -0.00  -0.01  -0.00
     2   6    -0.01   0.01   0.00    -0.01   0.02   0.00    -0.02   0.03   0.01
     3   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     4   6     0.01   0.03   0.01    -0.01  -0.02  -0.01     0.01   0.01   0.00
     5   6    -0.01   0.01   0.00     0.04  -0.04  -0.01    -0.03   0.04   0.01
     6   6     0.05   0.01   0.00    -0.03  -0.00  -0.00    -0.06  -0.01  -0.01
     7   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     8   7    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     9   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    10   1     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    11   1    -0.00  -0.01  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    12   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    13   1     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    14   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    15   1    -0.12  -0.29  -0.08     0.11   0.26   0.08    -0.07  -0.15  -0.04
    16   1     0.12  -0.16  -0.03    -0.40   0.51   0.10     0.33  -0.43  -0.09
    17   1    -0.56  -0.07  -0.05     0.34   0.04   0.03     0.65   0.08   0.06
    18   1     0.26   0.62   0.17     0.20   0.48   0.13     0.06   0.15   0.04
    19   1     0.13  -0.16  -0.03     0.14  -0.19  -0.03     0.27  -0.35  -0.06
    20   1     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
                     52                     53                     54
                      A                      A                      A
 Frequencies --   3197.6487              3485.0365              3565.4792
 Red. masses --      1.0945                 1.0486                 1.0939
 Frc consts  --      6.5934                 7.5033                 8.1933
 IR Inten    --      7.3014                 0.3154                 0.3838
 RamAct Fr= 1--    213.6636               218.1146               105.6424
  Dep-P Fr= 1--      0.1107                 0.1121                 0.7027
  Dep-U Fr= 1--      0.1994                 0.2016                 0.8254
 Alpha2 Fr= 1--      3.6436                 3.7070                 0.0870
 Beta2  Fr= 1--      7.1004                 7.3288                14.5324
 AlphaG Fr= 1--      0.0005                -1.6561                 0.2274
 Gamma2 Fr= 1--     -1.7348                -3.5134                -6.7847
 Delta2 Fr= 1--      2.1813                 0.4216                -2.0403
 Raman1 Fr= 1--     854.655                872.458                422.570
 ROA1   Fr= 1--     -96.740               -323.798               -716.626
 CID1   Fr= 1--      -0.113                 -0.371                 -1.696
 Raman2 Fr= 1--      85.204                 87.946                174.389
 ROA2   Fr= 1--     -59.086                -87.695               -146.512
 CID2   Fr= 1--      -0.693                 -0.997                 -0.840
 Raman3 Fr= 1--     170.409                175.892                348.778
 ROA3   Fr= 1--     -96.740               -323.798               -716.626
 CID3   Fr= 1--      -0.568                 -1.841                 -2.055
 RC180  Fr= 1--      -0.601                 -0.597                  0.651
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.03  -0.01     0.00  -0.00  -0.00     0.00   0.00  -0.00
     2   6     0.05  -0.06  -0.01     0.00   0.00   0.00     0.00   0.00   0.00
     3   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     4   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     5   6    -0.01   0.01   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     6   6    -0.03  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     7   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     8   7     0.00   0.00   0.00    -0.03   0.01  -0.05    -0.07  -0.01   0.04
     9   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    10   1     0.00   0.00  -0.00     0.68   0.07   0.00     0.72   0.09   0.04
    11   1    -0.00  -0.00  -0.00     0.00   0.01   0.01     0.00  -0.00  -0.00
    12   1     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    13   1    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    14   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    15   1    -0.02  -0.04  -0.01     0.00   0.00   0.00     0.00   0.00   0.00
    16   1     0.11  -0.14  -0.03    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    17   1     0.29   0.03   0.03     0.00  -0.00   0.00    -0.00   0.00  -0.00
    18   1     0.16   0.38   0.10    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    19   1    -0.51   0.65   0.12    -0.00  -0.00   0.00     0.00  -0.00   0.00
    20   1    -0.00  -0.00  -0.00    -0.27  -0.12   0.66     0.23   0.10  -0.64

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  7 and mass  14.00307
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Molecular mass:   121.08915 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   523.996361619.923491832.00536
           X            0.99997   0.00657  -0.00461
           Y           -0.00655   0.99997   0.00434
           Z            0.00464  -0.00431   0.99998
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.16529     0.05347     0.04728
 Rotational constants (GHZ):           3.44419     1.11409     0.98512
 Zero-point vibrational energy     456063.0 (Joules/Mol)
                                  109.00167 (Kcal/Mol)
 Warning -- explicit consideration of  11 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     63.11   183.67   309.66   369.29   407.86
          (Kelvin)            444.74   530.20   599.60   696.20   790.42
                              863.76   918.41  1031.15  1106.38  1121.81
                             1212.85  1243.55  1326.50  1343.83  1393.73
                             1424.63  1446.37  1475.72  1516.14  1535.27
                             1592.51  1630.24  1703.09  1724.95  1735.10
                             1810.22  1918.60  1949.71  1970.14  2018.05
                             2024.03  2143.01  2146.58  2153.90  2205.32
                             2344.44  2370.14  2382.43  4234.19  4357.45
                             4449.50  4480.21  4541.08  4557.00  4571.99
                             4589.98  4600.70  5014.19  5129.93
 
 Zero-point correction=                           0.173705 (Hartree/Particle)
 Thermal correction to Energy=                    0.182186
 Thermal correction to Enthalpy=                  0.183130
 Thermal correction to Gibbs Free Energy=         0.140315
 Sum of electronic and zero-point Energies=           -366.228140
 Sum of electronic and thermal Energies=              -366.219660
 Sum of electronic and thermal Enthalpies=            -366.218715
 Sum of electronic and thermal Free Energies=         -366.261530
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  114.323             32.909             90.110
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.288
 Rotational               0.889              2.981             28.832
 Vibrational            112.546             26.948             20.990
 Vibration     1          0.595              1.980              5.076
 Vibration     2          0.611              1.926              2.981
 Vibration     3          0.645              1.818              1.999
 Vibration     4          0.666              1.752              1.684
 Vibration     5          0.682              1.704              1.513
 Vibration     6          0.698              1.656              1.367
 Vibration     7          0.741              1.537              1.086
 Vibration     8          0.780              1.434              0.903
 Vibration     9          0.840              1.286              0.700
 Vibration    10          0.905              1.141              0.545
 Vibration    11          0.958              1.031              0.449
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.288034D-64        -64.540556       -148.610122
 Total V=0       0.228153D+16         15.358226         35.363623
 Vib (Bot)       0.123200D-77        -77.909388       -179.392995
 Vib (Bot)    1  0.471538D+01          0.673517          1.550829
 Vib (Bot)    2  0.159791D+01          0.203552          0.468696
 Vib (Bot)    3  0.920866D+00         -0.035803         -0.082441
 Vib (Bot)    4  0.757967D+00         -0.120350         -0.277115
 Vib (Bot)    5  0.676970D+00         -0.169430         -0.390128
 Vib (Bot)    6  0.612048D+00         -0.213215         -0.490945
 Vib (Bot)    7  0.494552D+00         -0.305788         -0.704103
 Vib (Bot)    8  0.422387D+00         -0.374289         -0.861833
 Vib (Bot)    9  0.344483D+00         -0.462832         -1.065710
 Vib (Bot)   10  0.285832D+00         -0.543890         -1.252353
 Vib (Bot)   11  0.248634D+00         -0.604439         -1.391773
 Vib (V=0)       0.975875D+02          1.989394          4.580749
 Vib (V=0)    1  0.524181D+01          0.719482          1.656668
 Vib (V=0)    2  0.217431D+01          0.337322          0.776712
 Vib (V=0)    3  0.154785D+01          0.189730          0.436868
 Vib (V=0)    4  0.140803D+01          0.148611          0.342190
 Vib (V=0)    5  0.134160D+01          0.127623          0.293862
 Vib (V=0)    6  0.129032D+01          0.110697          0.254889
 Vib (V=0)    7  0.120326D+01          0.080361          0.185039
 Vib (V=0)    8  0.115453D+01          0.062406          0.143694
 Vib (V=0)    9  0.110718D+01          0.044219          0.101817
 Vib (V=0)   10  0.107593D+01          0.031786          0.073189
 Vib (V=0)   11  0.105841D+01          0.024653          0.056765
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.523735D+08          7.719112         17.773912
 Rotational      0.446396D+06          5.649720         13.008962
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3  3       3333333  3  2                                           111 1111 11111 1111111111                                    
     5  4       1111110  0  9                                           666 5444 44333 2211110000999988 77 7  66 5 4  43 322 2  1    
     6  8       9976519  2  4                                           542 3998 00653 5098306520963264 86 1  30 4 8  16 085 1  2  4 
     5  5       8087643  9  3                                           679 3729 73953 8694377465094243 09 7  80 9 4  79 937 5  8  4 
 
     X  X       XXXXXXX  X  X                                           XXX XXXX XXXXX XXXXXXXX XX XXXX XX X  XX X X  XX XXX X  X  X 
                XXX XXX  X  X                                           XX  X X  XXX       X X        X XX X   X X     X  XX         
                 XX  XX  X  X                                           X     X            X          X X  X   X X        XX         
                 XX  XX  X  X                                           X                             X X  X              X          
                  X   X  X  X                                           X                             X X  X              X          
                      X  X  X                                           X                             X X  X                         
                      X  X  X                                           X                             X    X                         
                            X                                           X                             X    X                         
                            X                                                                         X    X                         
                            X                                                                         X                              
                            X                                                                         X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000007657   -0.000003940    0.000001122
      2        6          -0.000005405   -0.000005277   -0.000002029
      3        6          -0.000000871    0.000012383   -0.000002427
      4        6           0.000008339   -0.000003972    0.000000687
      5        6          -0.000005820   -0.000003822   -0.000000495
      6        6          -0.000000253    0.000007211    0.000000302
      7        6          -0.000002957   -0.000007290    0.000007643
      8        7          -0.000001588    0.000000105   -0.000000073
      9        6           0.000003986    0.000008426   -0.000012746
     10        1           0.000000282   -0.000001552   -0.000000180
     11        1          -0.000001722    0.000000341   -0.000002301
     12        1          -0.000002370   -0.000001661    0.000003548
     13        1          -0.000000349   -0.000000518   -0.000000156
     14        1          -0.000001946    0.000000020    0.000002611
     15        1          -0.000000646    0.000000631    0.000000044
     16        1           0.000000004    0.000000175    0.000000843
     17        1          -0.000000034   -0.000000195    0.000000685
     18        1          -0.000000475    0.000000588   -0.000000512
     19        1           0.000001453    0.000000154    0.000000918
     20        1           0.000002716   -0.000001807    0.000002516
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000012746 RMS     0.000003918
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.139032D+03  0.222575D+00  0.128387D+01
      2   0.222575D+00  0.111016D+03  0.587631D+01
      3   0.128387D+01  0.587631D+01  0.807927D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.213235D+01  0.169137D+01  0.290052D-01
      2   0.446325D+01  0.145949D+02 -0.130724D+02
      3  -0.388552D+01 -0.326917D+02 -0.131665D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.677276D+02  0.555887D+01  0.315439D+01
      2  -0.172697D+02 -0.704741D+01 -0.673518D+01
      3  -0.504579D+02  0.148854D+01  0.358079D+01
      4  -0.587530D+01  0.631453D+02  0.362340D+02
      5   0.193925D+02  0.374779D+02 -0.364881D+02
      6   0.155784D+02  0.427414D+01 -0.365913D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.496773D+01 -0.104827D+01 -0.226418D+00  0.569948D+01  0.455291D+00
      2  -0.104827D+01  0.278510D+01 -0.179961D+00  0.455291D+00  0.124427D+01
      3  -0.226418D+00 -0.179961D+00  0.935089D+00 -0.480198D+00 -0.136309D+01
                 6             7             8             9            10 
      1  -0.480198D+00  0.862630D+00 -0.826216D+00  0.206287D+01  0.453031D+01
      2  -0.136309D+01 -0.826216D+00 -0.148339D+01  0.370263D+01 -0.443968D+00
      3   0.223008D+01  0.206287D+01  0.370263D+01  0.299237D+01  0.183876D+00
                11            12            13            14            15 
      1  -0.443968D+00  0.183876D+00  0.927671D+01  0.156238D+00  0.173785D+00
      2  -0.395975D+01 -0.728613D+00  0.156238D+00  0.187982D+01 -0.932484D+00
      3  -0.728613D+00 -0.217444D+01  0.173785D+00 -0.932484D+00  0.174524D+01
                16            17            18            19            20 
      1   0.307220D+01 -0.820826D-01 -0.183171D+01 -0.194128D+02 -0.258993D+01
      2  -0.820826D-01 -0.167303D+01  0.299758D+01 -0.258993D+01 -0.242896D+01
      3  -0.183171D+01  0.299758D+01  0.148585D+01  0.639452D+00  0.344087D+00
                21            22            23            24            25 
      1   0.639452D+00 -0.300209D+01  0.113591D+01  0.163996D+01 -0.455334D+00
      2   0.344087D+00  0.113591D+01 -0.616931D+00 -0.316641D+00  0.150452D+01
      3  -0.256409D+01  0.163996D+01 -0.316641D+00  0.867570D-01 -0.418939D+01
                26            27            28            29            30 
      1   0.150452D+01 -0.418939D+01  0.616481D+01  0.276595D+01  0.729537D+00
      2  -0.667053D+00 -0.574661D+00  0.276595D+01 -0.281150D+01 -0.263600D+00
      3  -0.574661D+00 -0.842030D+00  0.729537D+00 -0.263600D+00 -0.134488D+01
                31            32            33            34            35 
      1  -0.787143D+01 -0.635708D+00  0.367574D+00 -0.115633D+01  0.117861D+01
      2  -0.635708D+00 -0.206446D+01  0.129867D+01  0.117861D+01  0.123364D+01
      3   0.367574D+00  0.129867D+01 -0.191639D+01 -0.947568D+00 -0.332748D+01
                36            37            38            39            40 
      1  -0.947568D+00 -0.344104D+01 -0.695773D+00 -0.383760D+00 -0.662269D+01
      2  -0.332748D+01 -0.695773D+00  0.312267D+01  0.951975D+00 -0.750269D+00
      3  -0.318204D+01 -0.383760D+00  0.951975D+00  0.209888D+01 -0.100601D+01
                41            42            43            44            45 
      1  -0.750269D+00 -0.100601D+01 -0.195374D+01 -0.821567D+00  0.312243D+01
      2  -0.914804D+00  0.157885D+01 -0.821567D+00  0.209573D+01 -0.310752D+01
      3   0.157885D+01 -0.209774D+01  0.312243D+01 -0.310752D+01 -0.184306D+01
                46            47            48            49            50 
      1   0.658494D+01  0.556609D+00 -0.480143D+00  0.133732D+01 -0.888094D+00
      2   0.556609D+00  0.359149D+01  0.286457D-01 -0.888094D+00  0.205755D+00
      3  -0.480143D+00  0.286457D-01  0.334181D+01 -0.159863D+01 -0.691759D+00
                51            52            53            54            55 
      1  -0.159863D+01 -0.231682D-02 -0.159606D+01  0.547743D+01  0.515895D+01
      2  -0.691759D+00 -0.159606D+01  0.290584D-01  0.420104D+00  0.651497D+00
      3   0.110431D+00  0.547743D+01  0.420104D+00  0.105197D+01 -0.139201D+01
                56            57            58            59            60 
      1   0.651497D+00 -0.139201D+01  0.451660D+00  0.247196D+01 -0.306257D+01
      2   0.125585D+01 -0.137381D+01  0.247196D+01  0.619130D+01  0.405231D+01
      3  -0.137381D+01  0.302888D+01 -0.306257D+01  0.405231D+01  0.909399D+00
                61            62            63            64            65 
      1  -0.689171D+01 -0.241324D+01  0.538864D+01  0.801119D+01  0.119286D+01
      2  -0.241324D+01  0.386393D+01  0.314995D+01  0.119286D+01 -0.945242D+00
      3   0.538864D+01  0.314995D+01 -0.270765D+01  0.150610D+01  0.645333D+00
                66            67            68            69            70 
      1   0.150610D+01  0.319112D+01 -0.183817D+01  0.148039D+01  0.130058D+01
      2   0.645333D+00 -0.183817D+01  0.736670D-01 -0.182204D+01  0.533638D+00
      3  -0.207349D+01  0.148039D+01 -0.182204D+01 -0.121164D+01 -0.188063D+01
                71            72            73            74            75 
      1   0.533638D+00 -0.188063D+01  0.101364D+02  0.231299D+01 -0.334930D+00
      2  -0.426133D+00 -0.166748D+01  0.231299D+01 -0.223790D+01  0.123639D+01
      3  -0.166748D+01  0.565462D+01 -0.334930D+00  0.123639D+01 -0.328314D+01
                76            77            78            79            80 
      1   0.167247D+01 -0.195353D+01  0.186461D+01  0.680468D+01  0.214275D+01
      2  -0.195353D+01  0.330396D+00 -0.463425D+01  0.214275D+01 -0.262765D+01
      3   0.186461D+01 -0.463425D+01 -0.124376D+01 -0.478189D+01 -0.195980D+01
                81            82            83            84            85 
      1  -0.478189D+01 -0.139603D+02  0.107419D+01 -0.290600D+01  0.171621D+00
      2  -0.195980D+01  0.107419D+01 -0.798929D+00  0.528234D+00 -0.536395D+00
      3   0.208140D+01 -0.290600D+01  0.528234D+00 -0.187359D+01  0.269664D+00
                86            87            88            89            90 
      1  -0.536395D+00  0.269664D+00 -0.148665D+00  0.237005D+00 -0.897275D+00
      2   0.761962D+00  0.116888D+00  0.237005D+00  0.546453D+00  0.237129D+00
      3   0.116888D+00  0.662585D-01 -0.897275D+00  0.237129D+00 -0.493834D+00
                91            92            93            94            95 
      1   0.249333D-01 -0.131175D+01 -0.401833D+00 -0.274609D+01 -0.150843D+01
      2  -0.131175D+01 -0.144573D+01 -0.288275D+00 -0.150843D+01 -0.730056D+01
      3  -0.401833D+00 -0.288275D+00 -0.942990D+00 -0.311430D+00 -0.214818D+01
                96            97            98            99           100 
      1  -0.311430D+00 -0.448843D+00 -0.307502D+00 -0.118067D+01 -0.458306D+00
      2  -0.214818D+01 -0.307502D+00 -0.339343D+01 -0.220835D+01  0.486576D+00
      3  -0.196102D+01 -0.118067D+01 -0.220835D+01 -0.164566D+01  0.388410D+00
               101           102           103           104           105 
      1   0.486576D+00  0.388410D+00  0.167688D+01 -0.347472D-01 -0.799814D+00
      2   0.374896D+00  0.404710D-01 -0.347472D-01  0.321704D+01  0.232512D+01
      3   0.404710D-01  0.826720D+00 -0.799814D+00  0.232512D+01  0.350086D+01
               106           107           108           109           110 
      1   0.703273D+00 -0.201920D+00 -0.828665D-01  0.108802D+00 -0.106924D+01
      2  -0.201920D+00  0.192751D+01  0.161016D+01 -0.106924D+01  0.145579D+01
      3  -0.828665D-01  0.161016D+01  0.364199D+01  0.601302D+00 -0.102923D+01
               111           112           113           114           115 
      1   0.601302D+00 -0.149694D+01  0.549152D+00 -0.243653D+00  0.220782D+00
      2  -0.102923D+01  0.549152D+00 -0.453519D+01  0.287662D+01 -0.426105D+00
      3   0.168790D+01 -0.243653D+00  0.287662D+01 -0.259517D+01  0.470862D+00
               116           117           118           119           120 
      1  -0.426105D+00  0.470862D+00 -0.147954D+02 -0.235181D+01  0.216382D+01
      2   0.185778D+01 -0.168934D+01 -0.235181D+01 -0.123539D+01  0.413513D+00
      3  -0.168934D+01  0.256861D+01  0.216382D+01  0.413513D+00 -0.158686D+01
               121           122           123           124           125 
      1  -0.229581D+01 -0.162755D+01  0.223566D+00 -0.124112D+01 -0.305041D+00
      2  -0.162755D+01 -0.897987D+00  0.655816D+00 -0.305041D+00  0.123426D-01
      3   0.223566D+00  0.655816D+00 -0.241459D+00 -0.750407D+00 -0.402127D-01
               126           127           128           129           130 
      1  -0.750407D+00 -0.164411D+01 -0.168134D+01 -0.555305D+00 -0.150314D+01
      2  -0.402127D-01 -0.168134D+01 -0.211857D+01 -0.650343D+00 -0.201249D+01
      3  -0.310164D-01 -0.555305D+00 -0.650343D+00 -0.326166D+00 -0.555220D+00
               131           132           133           134           135 
      1  -0.201249D+01 -0.555220D+00 -0.648592D+00 -0.723437D+00 -0.132924D+00
      2  -0.796940D+01 -0.215393D+01 -0.723437D+00 -0.226666D+01 -0.662652D+00
      3  -0.215393D+01 -0.126516D+01 -0.132924D+00 -0.662652D+00 -0.359263D+00
               136           137           138           139           140 
      1   0.499343D+01 -0.395795D+01 -0.752068D+00 -0.380246D+01  0.456350D+01
      2  -0.395795D+01  0.356157D+01  0.587855D+00  0.456350D+01 -0.653362D+01
      3  -0.752068D+00  0.587855D+00  0.543547D+00  0.995656D+00 -0.129595D+01
               141           142           143           144           145 
      1   0.995656D+00 -0.740023D+00  0.856786D+00  0.194187D+00  0.135806D+02
      2  -0.129595D+01  0.856786D+00 -0.152969D+01 -0.258091D+00  0.123554D+01
      3  -0.852428D+00  0.194187D+00 -0.258091D+00 -0.185413D+00  0.105170D+01
               146           147           148           149           150 
      1   0.123554D+01  0.105170D+01  0.115469D+01  0.167260D+01  0.520925D+00
      2   0.801319D+00  0.901000D-01  0.167260D+01  0.450046D+00  0.160195D+00
      3   0.901000D-01  0.790130D+00  0.520925D+00  0.160195D+00  0.125748D+00
               151           152           153           154           155 
      1   0.103188D+01  0.488165D+00  0.845570D-02  0.236003D+01  0.269138D+01
      2   0.488165D+00  0.118622D+00  0.178169D-01  0.269138D+01  0.285742D+01
      3   0.845570D-02  0.178169D-01  0.148308D+00  0.775405D+00  0.766358D+00
               156           157           158           159           160 
      1   0.775405D+00  0.236182D+01  0.390093D+01  0.103960D+01  0.842072D+00
      2   0.766358D+00  0.390093D+01  0.925953D+01  0.227839D+01  0.115313D+01
      3   0.488386D+00  0.103960D+01  0.227839D+01  0.128167D+01  0.304356D+00
               161           162           163           164           165 
      1   0.115313D+01  0.304356D+00 -0.366444D+01  0.215614D+01  0.782922D-01
      2   0.241891D+01  0.555564D+00  0.215614D+01 -0.250746D+01 -0.336209D+00
      3   0.555564D+00  0.318958D+00  0.782922D-01 -0.336209D+00 -0.368249D+00
               166           167           168           169           170 
      1   0.241587D+01 -0.273391D+01 -0.520995D+00  0.221205D+00 -0.514274D+00
      2  -0.273391D+01  0.559758D+01  0.921625D+00 -0.514274D+00  0.116066D+01
      3  -0.520995D+00  0.921625D+00  0.790943D+00 -0.615001D-01  0.249591D+00
               171           172           173           174           175 
      1  -0.615001D-01  0.689844D+00  0.262832D-01 -0.685433D+00 -0.689825D-01
      2   0.249591D+00  0.262832D-01  0.683322D+00 -0.782922D+00 -0.386279D+00
      3   0.253623D+00 -0.685433D+00 -0.782922D+00  0.279657D+01  0.279460D-02
               176           177           178           179           180 
      1  -0.386279D+00  0.279460D-02 -0.137262D+01  0.122850D+00 -0.292398D+00
      2   0.162160D+01 -0.906168D+00  0.122850D+00 -0.119760D+01  0.255506D+01
      3  -0.906168D+00  0.253737D+01 -0.292398D+00  0.255506D+01 -0.890774D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.282143D-01  0.130635D+01 -0.256269D+01  0.175554D+01  0.267540D+00
      2  -0.102870D+01  0.311191D+01  0.176463D+00  0.142861D+01 -0.383730D+01
      3   0.364023D+01 -0.133533D+02 -0.278390D+01  0.321232D+01 -0.141575D+01
                 6             7             8             9            10 
      1  -0.390929D+01 -0.506387D+01  0.873497D+00 -0.143863D+01 -0.582307D+00
      2   0.584901D+01 -0.884320D+01  0.882486D+01  0.505919D+01  0.180568D+01
      3   0.233829D+01 -0.798464D+00  0.314315D+01 -0.463186D+01  0.134815D+00
                11            12            13            14            15 
      1  -0.499557D+00  0.362078D+01 -0.792105D+00  0.318422D+00 -0.251386D+01
      2   0.278070D+00 -0.170512D+01  0.487346D+01  0.935177D+00  0.612802D+00
      3   0.154046D+01  0.150787D+01  0.200613D+01 -0.735011D+01  0.891770D+00
                16            17            18            19            20 
      1   0.707122D+01  0.298616D+01  0.389214D+00 -0.126639D+01 -0.487711D+00
      2  -0.122657D+02 -0.911578D-01  0.634996D+00 -0.427888D+01 -0.133634D+01
      3  -0.129697D+01  0.202806D+00 -0.605835D+01  0.656372D+00  0.838957D+01
                21            22            23            24            25 
      1   0.336526D-01 -0.105329D+01 -0.418006D+01  0.107338D+01 -0.216585D+00
      2  -0.177508D+01 -0.170388D+01  0.686692D+00  0.186763D+00 -0.158066D+02
      3   0.122666D+01  0.189242D+02  0.232131D+01 -0.216819D+01 -0.120221D+00
                26            27            28            29            30 
      1   0.101622D+02  0.279438D+01  0.307855D+00  0.182510D+01 -0.278438D+01
      2   0.536818D+00  0.211272D-01  0.415533D+01  0.143083D+01 -0.136133D+01
      3  -0.110153D+01  0.174610D+00 -0.560536D+01 -0.193116D+01 -0.242824D+01
                31            32            33            34            35 
      1   0.108248D+01  0.103581D+01 -0.309493D+01 -0.543026D+01  0.119290D+01
      2   0.203880D+01 -0.718867D+00 -0.128311D+01 -0.143381D+02 -0.147827D+01
      3   0.304667D+01  0.659507D+01  0.103628D+00 -0.275610D+01 -0.832868D+00
                36            37            38            39            40 
      1  -0.100669D+01 -0.631666D+00 -0.147077D+01  0.372594D+01 -0.173311D+01
      2  -0.289676D+01 -0.129078D+01  0.222475D+01  0.289274D+01 -0.117599D+01
      3   0.539347D+01  0.344821D+01 -0.114640D+02 -0.231160D+01  0.708885D+01
                41            42            43            44            45 
      1  -0.319272D+00 -0.245970D+01  0.723323D+01  0.335737D+01  0.135077D+01
      2   0.426826D+01 -0.678544D+01 -0.404836D+01 -0.988504D+01 -0.516819D+01
      3   0.214610D+01 -0.290930D+01 -0.719855D-01 -0.393563D+01  0.391834D+01
                46            47            48            49            50 
      1   0.466921D+00 -0.450518D+00 -0.122731D+01 -0.920140D+00 -0.309729D+01
      2   0.402420D+00 -0.646987D+00  0.958861D+01 -0.557408D+01 -0.216524D+00
      3  -0.270793D+01 -0.785793D+01  0.407776D+00  0.125133D+02 -0.179724D+01
                51            52            53            54            55 
      1   0.273837D+01 -0.219647D+01  0.113420D+02  0.337282D+01 -0.104478D+01
      2   0.118307D+01  0.849434D+01  0.212971D+01  0.269664D+01  0.402656D+01
      3   0.157175D+01  0.478677D+01  0.102236D+01 -0.413164D+00 -0.108786D+01
                56            57            58            59            60 
      1  -0.982909D+00 -0.120259D+01  0.346544D+01  0.418356D+01  0.144302D+01
      2   0.155859D+01 -0.429612D+01  0.299217D+01 -0.850014D+01 -0.221470D+01
      3   0.637525D+00  0.784257D+00  0.844040D+01  0.758502D+01  0.872588D+01
                61            62            63            64            65 
      1   0.323260D+01  0.357524D+01 -0.195892D+01 -0.270806D+01  0.281645D+01
      2  -0.169980D+02 -0.769647D+01  0.431573D+01  0.274024D+01 -0.165148D+01
      3  -0.394858D-01  0.138896D+02  0.446655D+01  0.184902D+02 -0.857878D+01
                66            67            68            69            70 
      1   0.328243D+01  0.512518D-01 -0.268255D+01 -0.144354D+01 -0.102211D+01
      2   0.105897D+02  0.516799D+00  0.259778D+01  0.342157D+01  0.133270D+01
      3   0.564870D+01  0.293456D+01  0.230229D+01 -0.447954D+01  0.229446D+01
                71            72            73            74            75 
      1   0.754264D+01 -0.830938D+01  0.404495D+01 -0.327353D+01 -0.102211D+00
      2   0.590320D+01 -0.150988D+02 -0.141510D+02 -0.624450D+01  0.122511D+02
      3  -0.184054D+01 -0.654016D+01  0.203779D+00 -0.105270D+02  0.209396D+01
                76            77            78            79            80 
      1  -0.579647D+00 -0.132742D+01 -0.120831D+02 -0.154486D+01 -0.619044D+01
      2  -0.622717D+01  0.148010D+02  0.184410D+01  0.880439D+01  0.367907D+01
      3  -0.281923D+01  0.284616D+01 -0.156505D+02  0.803273D+00 -0.130958D+02
                81            82            83            84            85 
      1  -0.928947D+00  0.264655D+01  0.991344D+00  0.148836D+01 -0.522551D+00
      2   0.834852D-01 -0.458162D+01 -0.203712D+00  0.561842D+01 -0.123302D+01
      3  -0.184168D+01 -0.129813D+02 -0.475576D+01 -0.228868D+01 -0.108447D+01
                86            87            88            89            90 
      1  -0.405391D+00 -0.642328D+00 -0.153029D+00  0.125255D+00 -0.413929D-02
      2  -0.627871D+00  0.826769D+00  0.662176D+00  0.162803D-01  0.910246D+00
      3   0.127668D+01  0.107114D+01 -0.832942D-02  0.761438D+00 -0.123474D+00
                91            92            93            94            95 
      1  -0.921630D+00 -0.211179D+00 -0.881743D+00 -0.127663D+01 -0.309177D+00
      2   0.108538D+01  0.429130D+00  0.277859D+01 -0.745933D+00  0.415044D+01
      3  -0.329045D+01 -0.291127D+01 -0.476915D+00  0.389663D+01 -0.135220D+02
                96            97            98            99           100 
      1  -0.503633D+01 -0.101797D+01  0.286758D+00 -0.236317D+01  0.161800D+01
      2   0.372201D+01  0.163357D+00  0.332748D+01  0.276963D+01 -0.167695D+01
      3  -0.389951D+01  0.151532D+01 -0.681119D+01 -0.321119D+01  0.236874D+01
               101           102           103           104           105 
      1   0.137119D+01  0.307894D+00  0.495808D+00  0.808017D+01  0.388109D+01
      2  -0.106747D+01 -0.197154D+01 -0.170022D+01 -0.681095D+01 -0.814392D+01
      3   0.106286D+01  0.111797D+00  0.185245D+01  0.917983D+01  0.698902D+01
               106           107           108           109           110 
      1  -0.369135D+00  0.607501D+01  0.457313D+01 -0.175547D+01  0.230072D+01
      2  -0.242161D+01 -0.422260D+01 -0.851800D+01 -0.332218D+01  0.356480D+01
      3  -0.289845D+00  0.559695D+01  0.479673D+01 -0.434835D+01  0.440320D+01
               111           112           113           114           115 
      1   0.489078D+00  0.126758D+01 -0.538052D+01  0.220606D+00  0.355054D+00
      2  -0.364107D+01  0.399887D+01 -0.836800D+01  0.639877D+01 -0.350778D+01
      3  -0.248334D+01  0.557402D+01 -0.115621D+02  0.745145D+01 -0.154690D+01
               116           117           118           119           120 
      1   0.358158D+01 -0.405791D-01 -0.132355D+01 -0.210647D+01 -0.144827D+01
      2   0.473711D+01 -0.635693D+01  0.106884D+02  0.128115D+01  0.665875D+01
      3   0.518312D+01 -0.500455D+01  0.359935D+01 -0.581300D+01  0.115875D+00
               121           122           123           124           125 
      1  -0.178400D+01 -0.534553D+00 -0.997144D-01 -0.958474D+00  0.105335D+01
      2   0.197128D+01 -0.420050D+00  0.104644D+01  0.132999D+01  0.143634D-01
      3  -0.185766D+01 -0.168916D+01  0.185633D+01 -0.804608D-01  0.142392D+01
               126           127           128           129           130 
      1  -0.259291D+00  0.125432D+00  0.357085D+00 -0.142093D+01  0.109083D+00
      2   0.648197D+00 -0.186440D+01 -0.113103D+01  0.124662D+00 -0.178536D+01
      3   0.772765D+00  0.666568D+01  0.326977D+01  0.137597D+01  0.701941D+01
               131           132           133           134           135 
      1   0.860625D+00 -0.390106D+01  0.667557D+00  0.231206D+01 -0.567295D+00
      2  -0.237340D+01  0.119125D+00 -0.203563D+01 -0.675040D+00  0.125949D+00
      3   0.844095D+01  0.268008D+01  0.248891D+01  0.241566D+01  0.476469D+00
               136           137           138           139           140 
      1   0.200613D+00 -0.617198D+00  0.217761D+01  0.294731D+00  0.259778D+00
      2   0.163045D-01  0.126974D+00  0.278973D+01  0.966740D+00 -0.184317D+01
      3   0.163590D+01 -0.506456D+01 -0.370329D+00 -0.355356D+01  0.109770D+02
               141           142           143           144           145 
      1  -0.327163D+01 -0.100454D+01  0.168043D+01 -0.416791D+00 -0.170372D+00
      2  -0.327551D+01 -0.783303D+00  0.511340D+00 -0.486925D+00  0.127934D+01
      3   0.173420D+01 -0.112409D+01  0.267334D+01  0.317567D+00 -0.505595D+00
               146           147           148           149           150 
      1   0.387664D+00 -0.559357D+00  0.218688D-01  0.387328D-01 -0.475045D+00
      2   0.108720D-01  0.595544D+01  0.184768D+01  0.387779D+00  0.830155D+00
      3  -0.533689D+01  0.693530D-01 -0.390250D+01 -0.120767D+01 -0.430532D+00
               151           152           153           154           155 
      1   0.393954D+00  0.521537D+00 -0.655458D-01 -0.244132D+00  0.131297D+00
      2  -0.283405D+01 -0.194121D+00  0.423022D+00  0.327926D+00  0.679871D+00
      3  -0.153184D+01 -0.780792D+00 -0.161146D-01 -0.768620D+00 -0.276220D+01
               156           157           158           159           160 
      1  -0.163206D+01 -0.260464D+00  0.476748D+00 -0.429183D+01  0.552449D+00
      2   0.170223D+01  0.657527D+00  0.328377D+01  0.331164D+01 -0.558628D+00
      3  -0.502399D+00 -0.143475D+01 -0.134397D+02 -0.301239D+01 -0.379610D+00
               161           162           163           164           165 
      1   0.203245D+01 -0.641423D+00  0.103536D+01 -0.848377D+00  0.215117D+01
      2   0.183259D+00  0.777685D+00  0.246398D+01 -0.937334D+00  0.626308D+00
      3  -0.361222D+01 -0.742041D+00 -0.107317D+02  0.378713D+01 -0.263171D+00
               166           167           168           169           170 
      1  -0.144174D+00  0.257644D-01 -0.309430D+01 -0.205071D+00  0.201314D+01
      2  -0.106002D+01  0.132107D+01 -0.115289D+01 -0.168802D+01  0.504179D+00
      3   0.717980D+01 -0.485283D+01 -0.119895D+01 -0.138764D+00 -0.137241D+01
               171           172           173           174           175 
      1  -0.274373D+00  0.174455D+00 -0.538973D+00 -0.345537D+01 -0.117663D+00
      2  -0.495292D+00  0.384294D+01  0.145924D+01 -0.660354D+01 -0.862476D-01
      3  -0.453682D-01  0.107665D+01  0.175894D+01 -0.237691D+01  0.482209D+00
               176           177           178           179           180 
      1  -0.248257D+00 -0.343874D+01 -0.216366D+00  0.983227D+00  0.873813D+01
      2   0.128429D+01 -0.649666D+01 -0.417671D+01 -0.623884D+01  0.199113D+02
      3   0.328004D+01 -0.102092D+01 -0.170567D+01 -0.292937D+01  0.831145D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.699970D+01 -0.210913D+02 -0.324694D+01  0.235086D+02  0.116465D+02
      2  -0.696171D+01  0.131480D+02  0.328764D+00 -0.206033D+02 -0.149106D+02
      3  -0.379912D-01  0.794329D+01  0.291817D+01 -0.290539D+01  0.326410D+01
      4  -0.145219D+02 -0.584731D+01 -0.349186D+01  0.114377D+02 -0.260669D+01
      5  -0.685931D+01 -0.143942D+01 -0.331480D+01  0.757606D-01 -0.846467D+01
      6  -0.484322D+01 -0.190440D+01  0.482738D+01 -0.647931D+01 -0.126434D+02
                 6             7             8             9            10 
      1   0.391055D+01  0.562226D+01  0.921527D+00 -0.600385D+01  0.152171D+01
      2  -0.826183D+01 -0.920675D+01 -0.980285D+01 -0.584554D+01 -0.189164D+01
      3   0.435128D+01  0.358449D+01  0.888133D+01  0.118494D+02  0.369928D+00
      4  -0.810225D+01 -0.332765D+01 -0.110875D+02  0.134553D+02  0.855300D+01
      5   0.118300D+02  0.132193D+02  0.136198D+02  0.110525D+02  0.391393D+01
      6   0.599196D+01  0.513403D+01  0.132717D+02  0.376317D+01  0.242502D+01
                11            12            13            14            15 
      1   0.169009D+02  0.492691D+01 -0.485355D+01 -0.485703D+00  0.486142D+01
      2  -0.121695D+02  0.107946D+01  0.126648D+02 -0.272879D+01 -0.377061D+01
      3  -0.473145D+01 -0.600637D+01 -0.781128D+01  0.321449D+01 -0.109081D+01
      4  -0.131089D+02 -0.893959D+00  0.161869D+01  0.128356D+02  0.301733D+01
      5  -0.195239D+01 -0.270260D+01  0.432982D+01  0.286011D+01 -0.102223D+01
      6  -0.506785D+00 -0.734283D+01  0.892662D+01 -0.569971D+01  0.538423D+01
                16            17            18            19            20 
      1  -0.214982D+01  0.516107D+01 -0.138401D+02 -0.203790D+02 -0.308541D+01
      2   0.841744D+01 -0.729555D+01  0.194459D+01  0.523018D+01  0.313162D+01
      3  -0.626762D+01  0.213448D+01  0.118955D+02  0.151489D+02 -0.462086D-01
      4   0.276647D+01  0.995040D+00  0.391299D+01  0.610031D+01  0.233650D+01
      5   0.317945D+01  0.269490D+01 -0.635714D+00 -0.109579D+02 -0.176106D+01
      6  -0.241407D+01  0.107583D+02  0.135083D+00 -0.486120D+01  0.293770D+00
                21            22            23            24            25 
      1  -0.458752D+01 -0.927921D+00 -0.632304D+01 -0.148636D+01 -0.695482D+01
      2   0.354460D+00 -0.189748D+01  0.130034D+02  0.831850D+01 -0.892519D+00
      3   0.423305D+01  0.282540D+01 -0.668036D+01 -0.683214D+01  0.784734D+01
      4  -0.130287D+01 -0.633700D+01 -0.121219D+01  0.200976D+01 -0.635612D+01
      5   0.115841D+01 -0.664024D+01  0.192026D+01 -0.477435D+00  0.702352D+01
      6   0.151811D+01 -0.238282D+01  0.631472D+01 -0.152913D+01  0.290995D+00
                26            27            28            29            30 
      1  -0.224162D+01 -0.774945D+01  0.125549D+02 -0.967127D+01  0.217326D+00
      2   0.432340D+01 -0.334744D+01 -0.775492D+01  0.677997D+01 -0.262060D+01
      3  -0.208178D+01  0.110969D+02 -0.479998D+01  0.289130D+01  0.240327D+01
      4   0.285205D+01  0.169876D+01 -0.505044D+01 -0.197055D+02 -0.381370D+01
      5   0.116567D+01 -0.395856D+00  0.315385D+01 -0.267110D+01 -0.599503D+01
      6   0.786042D+01 -0.335542D+01 -0.117360D+01 -0.255600D+01  0.591839D+01
                31            32            33            34            35 
      1   0.260135D+01  0.753618D+01  0.515267D+01  0.319193D+01  0.391246D+01
      2  -0.107309D+02 -0.105267D+02 -0.862922D+01 -0.526926D+01 -0.115568D+02
      3   0.812957D+01  0.299054D+01  0.347656D+01  0.207733D+01  0.764437D+01
      4   0.112234D+02 -0.135965D+02 -0.301112D+01 -0.148164D+01 -0.298926D+01
      5  -0.131429D+01 -0.320668D+01 -0.103944D+00  0.403696D+01 -0.617270D+01
      6  -0.703323D+01 -0.113617D+02  0.376605D+01  0.106268D+01  0.120716D+02
                36            37            38            39            40 
      1  -0.156763D+02 -0.176858D+01  0.239090D+02  0.632956D+01 -0.295973D+02
      2  -0.968069D+00 -0.255201D+01 -0.146869D+02  0.115379D+01  0.279540D+02
      3   0.166443D+02  0.432059D+01 -0.922202D+01 -0.748335D+01  0.164321D+01
      4  -0.757876D+01  0.159089D+02  0.329648D+01  0.226015D+01  0.165289D+01
      5  -0.489597D+01 -0.404391D+00  0.222456D+00  0.581910D+01 -0.652814D+01
      6   0.481592D+01 -0.313917D-02 -0.943245D+00 -0.839061D+01  0.878392D+01
                41            42            43            44            45 
      1   0.335101D+01  0.957862D+00 -0.971945D+01  0.412587D+01  0.219737D+01
      2  -0.672507D+01 -0.163657D+01  0.118166D+02 -0.870670D+01 -0.884330D+01
      3   0.337406D+01  0.678704D+00 -0.209713D+01  0.458083D+01  0.664593D+01
      4   0.967837D+01  0.115977D+02 -0.234689D+01  0.101456D+02 -0.141447D+02
      5   0.985694D+01 -0.139857D+02  0.197933D+02 -0.142253D+02 -0.109141D+02
      6  -0.780082D+01  0.508184D+01 -0.585605D+01  0.117023D+02 -0.437914D+00
                46            47            48            49            50 
      1  -0.125377D+02 -0.440651D+01 -0.598156D+01  0.958894D+01 -0.194570D+02
      2   0.762759D+01  0.356181D+01  0.192193D+01 -0.816009D+01  0.167993D+02
      3   0.491014D+01  0.844702D+00  0.405963D+01 -0.142885D+01  0.265766D+01
      4  -0.257883D+01  0.253305D+02  0.102424D+00 -0.200471D+02 -0.350744D+01
      5  -0.409127D+01 -0.153637D+00  0.222988D+02 -0.149834D+02 -0.123056D+01
      6   0.674457D+00  0.253274D+00  0.275573D+01 -0.313744D+01  0.463275D+01
                51            52            53            54            55 
      1  -0.879350D+01 -0.342553D+01 -0.918271D+01  0.137883D+02  0.129754D+02
      2   0.120448D+02 -0.790014D+00  0.621203D+01 -0.165201D+02 -0.273698D+01
      3  -0.325134D+01  0.421555D+01  0.297068D+01  0.273177D+01 -0.102385D+02
      4  -0.419365D+01 -0.154591D+02 -0.157369D+01  0.184710D+01  0.166118D+01
      5   0.234423D+01  0.361972D+02  0.302925D+01  0.588545D+01  0.784401D+01
      6  -0.474550D+01  0.125530D+01  0.723816D+01 -0.487106D+01  0.334603D+01
                56            57            58            59            60 
      1   0.441962D+00 -0.241415D+01  0.132942D+02  0.741322D+01  0.875994D+01
      2   0.385535D+01 -0.165434D+01 -0.849993D+01 -0.149660D+02 -0.199844D+02
      3  -0.429731D+01  0.406849D+01 -0.479423D+01  0.755278D+01  0.112245D+02
      4  -0.135807D+02  0.375824D+01 -0.137097D+02 -0.254997D+02 -0.194361D+02
      5   0.388580D+01 -0.189012D+02  0.213026D+02 -0.166146D+02 -0.105574D+01
      6  -0.492927D+00 -0.697878D+00 -0.636477D+01 -0.136854D+02 -0.612783D+01
                61            62            63            64            65 
      1   0.719727D+01  0.823519D+01 -0.718200D+01 -0.410885D+02  0.146104D+01
      2  -0.139695D+02 -0.383197D+01  0.805683D+01  0.276091D+02 -0.702444D+01
      3   0.677224D+01 -0.440322D+01 -0.874836D+00  0.134794D+02  0.556339D+01
      4   0.175083D+02 -0.216443D+02 -0.150384D+02 -0.786010D+00  0.146890D+02
      5  -0.334276D+02 -0.145674D+02  0.115915D+02 -0.192889D+02 -0.751254D+00
      6  -0.904070D+01 -0.115108D+02  0.352850D+01 -0.566278D+00  0.122774D+01
                66            67            68            69            70 
      1  -0.117180D+02 -0.106045D+02 -0.465494D+01 -0.322747D+01 -0.898882D+01
      2   0.115129D+01  0.145382D+01  0.157174D+02 -0.259113D+01  0.209630D+01
      3   0.105668D+02  0.915069D+01 -0.110625D+02  0.581859D+01  0.689252D+01
      4   0.145706D+01  0.176079D+02 -0.642789D+01  0.114238D+02 -0.178755D+01
      5   0.130983D+02 -0.105748D+02  0.983650D+01  0.371905D+01  0.116620D+02
      6  -0.363526D+01  0.620830D+01 -0.414378D+01  0.601494D+01 -0.157793D+01
                71            72            73            74            75 
      1   0.199583D+00  0.175858D+02 -0.616163D+02 -0.175069D+02  0.117871D+02
      2  -0.104276D+02  0.453172D+00  0.248563D+02  0.106569D+02 -0.190336D+01
      3   0.102280D+02 -0.180390D+02  0.367600D+02  0.684997D+01 -0.988371D+01
      4   0.445298D+01  0.352720D+01 -0.240691D+02  0.838066D+01 -0.318646D+01
      5   0.601434D+01 -0.178056D+02  0.168213D+02 -0.411875D+00  0.147042D+02
      6   0.431020D+01  0.938486D+01  0.466329D+01 -0.707217D+01  0.412004D+01
                76            77            78            79            80 
      1  -0.184356D+02  0.197928D+02 -0.459642D+01 -0.890479D-01 -0.637997D+01
      2   0.970042D+01 -0.540543D+01  0.147424D+02  0.106438D+02  0.119965D+02
      3   0.873519D+01 -0.143873D+02 -0.101460D+02 -0.105547D+02 -0.561656D+01
      4   0.750329D+01  0.259610D+01  0.197761D+02 -0.106077D+02  0.128930D+02
      5  -0.490617D+01  0.149726D+02  0.862752D+01  0.279771D+02  0.122174D+02
      6  -0.391195D+01  0.392783D+01 -0.133005D+02  0.971368D+01 -0.789610D+01
                81            82            83            84            85 
      1   0.130490D+02  0.794497D+02 -0.353068D+01  0.119753D+02  0.382913D+01
      2  -0.136355D+02 -0.475825D+02  0.180054D+01 -0.107942D+02 -0.886495D+00
      3   0.586489D+00 -0.318672D+02  0.173014D+01 -0.118117D+01 -0.294263D+01
      4   0.125466D+02 -0.158453D+02  0.718282D+01 -0.443720D+01  0.572002D+01
      5  -0.157416D+02  0.337806D+02 -0.360477D+01  0.160188D+02 -0.161848D+01
      6  -0.613337D+01 -0.331815D+01  0.223946D+01 -0.286050D+01  0.205216D+01
                86            87            88            89            90 
      1   0.248386D+01 -0.252035D+01  0.316392D+01 -0.125447D+01  0.361604D+01
      2   0.248537D+00  0.189733D+01 -0.235646D+01  0.100660D+01 -0.367385D+01
      3  -0.273240D+01  0.623017D+00 -0.807460D+00  0.247871D+00  0.578120D-01
      4  -0.254840D+01  0.235060D+00 -0.263018D+01 -0.473151D+00 -0.146307D+01
      5   0.145809D+00 -0.103264D+01  0.964186D+01 -0.161499D+01  0.491437D+01
      6  -0.334487D+00  0.133954D+01 -0.137449D+01  0.106954D+01 -0.896015D+00
                91            92            93            94            95 
      1   0.101116D+01  0.220472D+01  0.191316D+01  0.103003D-01 -0.146819D+02
      2   0.221763D+01  0.343370D+00  0.434789D+00  0.300717D+01  0.237354D+02
      3  -0.322879D+01 -0.254809D+01 -0.234795D+01 -0.301747D+01 -0.905359D+01
      4   0.773303D+01  0.134683D+02  0.313380D+01  0.111808D+02  0.326483D+02
      5   0.205617D+01  0.304588D+01  0.774006D+01  0.216690D+01  0.808391D+01
      6   0.429932D+01  0.210285D+01  0.105632D+01  0.306046D+01  0.175858D+02
                96            97            98            99           100 
      1  -0.539626D+01  0.126061D-01 -0.760997D+01 -0.557792D+01  0.427212D+01
      2   0.860235D+01  0.182987D+01  0.602735D+01  0.232177D+01 -0.270321D+01
      3  -0.320609D+01 -0.184248D+01  0.158262D+01  0.325615D+01 -0.156891D+01
      4   0.929335D+01  0.264096D+01  0.153444D+02  0.955880D+01 -0.676825D+00
      5   0.819416D+01  0.781333D+01  0.853010D+01  0.614276D+01 -0.262976D+01
      6   0.104726D+02  0.333927D+01  0.140254D+02  0.941709D+01  0.199869D+01
               101           102           103           104           105 
      1  -0.146240D+01 -0.560896D+01 -0.510320D+01 -0.778416D+01 -0.602035D+01
      2   0.612369D+00  0.308709D+00  0.366692D+01 -0.403899D+00 -0.658693D+01
      3   0.850030D+00  0.530025D+01  0.143628D+01  0.818806D+01  0.126073D+02
      4  -0.274755D+00  0.350089D+00  0.193143D+01 -0.163252D+02 -0.114147D+02
      5   0.163788D+01  0.327372D-01  0.758323D+01 -0.950695D+01 -0.156921D+02
      6   0.156312D+01 -0.679603D-02 -0.441925D+00  0.119061D+02  0.102321D+02
               106           107           108           109           110 
      1  -0.390609D+01 -0.423181D+01 -0.108112D+02 -0.730592D+00  0.967560D+01
      2   0.258593D+01 -0.536131D+01 -0.707321D+01  0.156051D+01 -0.651927D+01
      3   0.132017D+01  0.959312D+01  0.178844D+02 -0.829918D+00 -0.315633D+01
      4   0.655972D+00 -0.969674D+01 -0.813309D+01  0.226496D+01 -0.251266D+01
      5   0.439505D+01 -0.684143D+01 -0.144958D+02 -0.199771D+00 -0.138059D+00
      6  -0.599523D+00  0.934184D+01  0.755568D+01 -0.375646D+01  0.641554D+01
               111           112           113           114           115 
      1  -0.844462D+01  0.964222D+01 -0.202265D+02  0.128602D+02 -0.418870D+01
      2   0.226237D+01 -0.533682D+01  0.172977D+02 -0.597435D+01  0.809635D+00
      3   0.618225D+01 -0.430540D+01  0.292881D+01 -0.688589D+01  0.337907D+01
      4   0.162177D+01  0.224733D+01  0.161915D+02 -0.106867D+02  0.422846D+00
      5  -0.278226D+01 -0.406143D+01 -0.795950D+01  0.788580D+01  0.218351D+01
      6  -0.538611D+01  0.224464D+01 -0.185555D+02  0.149472D+02 -0.264392D+01
               116           117           118           119           120 
      1   0.100490D+02 -0.138315D+02  0.872963D+02  0.112909D+02 -0.683307D+01
      2  -0.348187D+01  0.144817D+01 -0.438552D+02 -0.383523D+01  0.748076D+01
      3  -0.656715D+01  0.123834D+02 -0.434411D+02 -0.745566D+01 -0.647685D+00
      4  -0.682816D+01  0.510732D+01  0.271432D+02  0.147128D+02 -0.376036D+01
      5   0.434874D+01 -0.668904D+01 -0.322274D+02 -0.539024D+01  0.157266D+02
      6   0.128864D+02 -0.114273D+02 -0.570908D+01 -0.375495D+01  0.312689D+01
               121           122           123           124           125 
      1   0.102157D+02  0.591026D+01  0.451644D+00  0.488609D+01  0.109445D+01
      2  -0.287472D+01 -0.171960D+01 -0.471278D+00  0.423718D+00 -0.330684D+00
      3  -0.734098D+01 -0.419066D+01  0.196340D-01 -0.530981D+01 -0.763765D+00
      4   0.159340D+02  0.746666D+01 -0.362372D+01  0.217694D+01 -0.231484D+00
      5  -0.401048D+01 -0.463728D+01  0.196072D+01  0.869989D+01  0.689416D+00
      6  -0.295729D+01 -0.206495D+01  0.340027D+01  0.181090D+01  0.212895D+01
               126           127           128           129           130 
      1   0.476226D+01 -0.521115D+01 -0.852324D+01 -0.296876D+01 -0.782744D+01
      2  -0.351253D+01  0.630717D+01  0.100141D+02  0.222978D+01  0.923428D+01
      3  -0.124972D+01 -0.109602D+01 -0.149091D+01  0.738985D+00 -0.140684D+01
      4   0.138471D+01  0.353049D+01  0.721086D+01  0.153793D+01  0.482977D+01
      5  -0.173745D+01  0.127173D+01  0.135678D+01  0.191464D+01  0.104945D+01
      6  -0.109485D+00  0.263773D+01  0.409417D+01  0.244901D+01  0.334566D+01
               131           132           133           134           135 
      1  -0.323150D+02 -0.920619D+01 -0.241761D+01 -0.893352D+01 -0.344508D+01
      2   0.411805D+02  0.852887D+01  0.287304D+01  0.106758D+02  0.389015D+01
      3  -0.886551D+01  0.677326D+00 -0.455424D+00 -0.174225D+01 -0.445073D+00
      4  -0.832263D+00 -0.590817D+00  0.145679D+01 -0.915006D-01  0.128452D+01
      5  -0.604177D+00  0.109233D+00  0.100444D+01  0.516643D+00  0.650868D+00
      6   0.140560D+02  0.906401D+01  0.996321D+00  0.523056D+01  0.368969D+01
               136           137           138           139           140 
      1   0.220330D+02 -0.140623D+02 -0.288266D+01 -0.877314D+01  0.328047D+01
      2  -0.370936D+01 -0.100627D+01  0.809350D+00 -0.683544D+01  0.169277D+02
      3  -0.183237D+02  0.150686D+02  0.207331D+01  0.156086D+02 -0.202082D+02
      4  -0.340288D+02  0.311800D+02  0.497344D+01  0.344266D+02 -0.443929D+02
      5  -0.710805D+01  0.518765D+01  0.624016D+01  0.755716D+01 -0.896829D+01
      6   0.277917D+01 -0.243444D+01 -0.300244D+01 -0.491527D+01  0.678813D+01
               141           142           143           144           145 
      1   0.735805D+00 -0.104601D+01 -0.747983D-01 -0.132870D-01  0.102492D+03
      2   0.120171D+01 -0.156137D+01  0.349093D+01  0.107927D+01 -0.573760D+02
      3  -0.193752D+01  0.260738D+01 -0.341613D+01 -0.106598D+01 -0.451161D+02
      4  -0.849859D+01  0.678150D+01 -0.861794D+01 -0.293841D+01  0.135043D+02
      5  -0.586227D+01  0.250974D+01 -0.252152D+01 -0.153268D+01  0.997385D+01
      6   0.599911D+01 -0.185155D+01  0.255800D+01  0.210134D+01 -0.220204D+01
               146           147           148           149           150 
      1   0.874446D+01  0.674184D+01  0.697258D+01  0.976176D+01  0.223397D+01
      2  -0.431573D+01 -0.447444D+01 -0.299775D+01 -0.448190D+01 -0.190945D+01
      3  -0.442873D+01 -0.226741D+01 -0.397482D+01 -0.527986D+01 -0.324524D+00
      4   0.937192D+01  0.808712D+00  0.160299D+02  0.411029D+01  0.151393D+01
      5   0.753497D+00  0.965828D+01  0.434465D+01  0.162743D+01  0.135926D+01
      6   0.240801D+00  0.442803D+00  0.911717D+00 -0.144198D+00  0.163870D+01
               151           152           153           154           155 
      1   0.789323D+01  0.245276D+01  0.293951D+01  0.547343D+01  0.472279D+01
      2  -0.422679D+01 -0.134074D+01 -0.165022D+01  0.342114D+01  0.509872D+01
      3  -0.366644D+01 -0.111202D+01 -0.128929D+01 -0.889457D+01 -0.982151D+01
      4   0.467234D+01  0.163738D+01  0.771282D+00  0.193127D+02  0.240399D+02
      5   0.231169D+01  0.488459D+00  0.125753D+01  0.496531D+01  0.570346D+01
      6   0.114583D+00  0.508762D+00  0.594393D+00  0.385884D+01  0.442839D+01
               156           157           158           159           160 
      1   0.111437D+01 -0.134159D+01 -0.159780D+02 -0.402299D+01  0.748568D-01
      2   0.491324D+00  0.118428D+02  0.370803D+02  0.624783D+01  0.238108D+01
      3  -0.160570D+01 -0.105012D+02 -0.211023D+02 -0.222484D+01 -0.245594D+01
      4   0.588443D+01  0.249535D+02  0.468746D+02  0.111697D+02  0.690308D+01
      5   0.512072D+01  0.610154D+01  0.107559D+02  0.635253D+01  0.246403D+01
      6   0.291259D+01  0.621380D+01  0.145258D+02  0.940739D+01  0.254750D+01
               161           162           163           164           165 
      1  -0.348042D+01 -0.186612D+01 -0.437263D+01  0.669407D+01  0.113851D+01
      2   0.822421D+01  0.299848D+01  0.580359D+01 -0.940781D+01 -0.122500D+01
      3  -0.474379D+01 -0.113237D+01 -0.143096D+01  0.271374D+01  0.864908D-01
      4   0.127290D+02  0.414304D+01 -0.851082D+01  0.724938D+01  0.801768D+00
      5   0.343724D+01  0.245463D+01 -0.542339D-01  0.879548D+00  0.152844D+01
      6   0.522546D+01  0.368981D+01  0.730605D+00 -0.175754D+01 -0.208296D+01
               166           167           168           169           170 
      1   0.843464D+01 -0.202870D+02 -0.393917D+01  0.154408D+01 -0.384335D+01
      2  -0.108039D+02  0.269059D+02  0.341116D+01 -0.210486D+01  0.457844D+01
      3   0.236926D+01 -0.661890D+01  0.528002D+00  0.560777D+00 -0.735091D+00
      4   0.738585D+01 -0.833068D+01 -0.112733D+01  0.115269D+01 -0.143375D+01
      5   0.994100D+00 -0.129659D+01 -0.148346D+01  0.849704D+00 -0.624691D+00
      6  -0.274996D+01  0.545107D+01  0.494526D+01 -0.101400D+01  0.227237D+01
               171           172           173           174           175 
      1  -0.940879D+00 -0.299969D+01 -0.240862D+01  0.102540D+02 -0.781824D+00
      2   0.166944D+01 -0.197423D+00 -0.186045D+00  0.180922D+01  0.399273D+00
      3  -0.728562D+00  0.319711D+01  0.259467D+01 -0.120632D+02  0.382551D+00
      4  -0.196956D+01  0.578565D+00 -0.240299D+01  0.729036D-01  0.344207D+01
      5  -0.129213D+01  0.132417D+01  0.147716D+01 -0.657068D+01 -0.867795D+00
      6   0.158858D+01 -0.979981D+00 -0.143667D+01  0.427813D+01 -0.894375D-01
               176           177           178           179           180 
      1  -0.299377D+01  0.536742D+01  0.844375D+01  0.716317D+01 -0.248624D+02
      2   0.993561D+00  0.265584D+01 -0.435574D+01  0.168329D+01 -0.126539D+02
      3   0.200021D+01 -0.802326D+01 -0.408801D+01 -0.884646D+01  0.375163D+02
      4  -0.689897D+01  0.193208D+01 -0.314113D+01  0.361804D+01 -0.797151D+01
      5   0.242988D+01 -0.116669D+02  0.749703D+01 -0.996129D+01  0.334703D+02
      6  -0.287806D+01  0.881051D+01  0.329570D+00  0.796330D+01 -0.171572D+02
 Leave Link  716 at Thu Aug 12 20:03:11 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.139032D+03  0.222575D+00  0.128387D+01
      2   0.222575D+00  0.111016D+03  0.587631D+01
      3   0.128387D+01  0.587631D+01  0.807927D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.213235D+01  0.169137D+01  0.290052D-01
      2   0.446325D+01  0.145949D+02 -0.130724D+02
      3  -0.388552D+01 -0.326917D+02 -0.131665D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.677276D+02  0.555887D+01  0.315439D+01
      2  -0.172697D+02 -0.704741D+01 -0.673518D+01
      3  -0.504579D+02  0.148854D+01  0.358079D+01
      4  -0.587530D+01  0.631453D+02  0.362340D+02
      5   0.193925D+02  0.374779D+02 -0.364881D+02
      6   0.155784D+02  0.427414D+01 -0.365913D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.496773D+01 -0.104827D+01 -0.226418D+00  0.569948D+01  0.455291D+00
      2  -0.104827D+01  0.278510D+01 -0.179961D+00  0.455291D+00  0.124427D+01
      3  -0.226418D+00 -0.179961D+00  0.935089D+00 -0.480198D+00 -0.136309D+01
                 6             7             8             9            10 
      1  -0.480198D+00  0.862630D+00 -0.826216D+00  0.206287D+01  0.453031D+01
      2  -0.136309D+01 -0.826216D+00 -0.148339D+01  0.370263D+01 -0.443968D+00
      3   0.223008D+01  0.206287D+01  0.370263D+01  0.299237D+01  0.183876D+00
                11            12            13            14            15 
      1  -0.443968D+00  0.183876D+00  0.927671D+01  0.156238D+00  0.173785D+00
      2  -0.395975D+01 -0.728613D+00  0.156238D+00  0.187982D+01 -0.932484D+00
      3  -0.728613D+00 -0.217444D+01  0.173785D+00 -0.932484D+00  0.174524D+01
                16            17            18            19            20 
      1   0.307220D+01 -0.820826D-01 -0.183171D+01 -0.194128D+02 -0.258993D+01
      2  -0.820826D-01 -0.167303D+01  0.299758D+01 -0.258993D+01 -0.242896D+01
      3  -0.183171D+01  0.299758D+01  0.148585D+01  0.639452D+00  0.344087D+00
                21            22            23            24            25 
      1   0.639452D+00 -0.300209D+01  0.113591D+01  0.163996D+01 -0.455334D+00
      2   0.344087D+00  0.113591D+01 -0.616931D+00 -0.316641D+00  0.150452D+01
      3  -0.256409D+01  0.163996D+01 -0.316641D+00  0.867570D-01 -0.418939D+01
                26            27            28            29            30 
      1   0.150452D+01 -0.418939D+01  0.616481D+01  0.276595D+01  0.729537D+00
      2  -0.667053D+00 -0.574661D+00  0.276595D+01 -0.281150D+01 -0.263600D+00
      3  -0.574661D+00 -0.842030D+00  0.729537D+00 -0.263600D+00 -0.134488D+01
                31            32            33            34            35 
      1  -0.787143D+01 -0.635708D+00  0.367574D+00 -0.115633D+01  0.117861D+01
      2  -0.635708D+00 -0.206446D+01  0.129867D+01  0.117861D+01  0.123364D+01
      3   0.367574D+00  0.129867D+01 -0.191639D+01 -0.947568D+00 -0.332748D+01
                36            37            38            39            40 
      1  -0.947568D+00 -0.344104D+01 -0.695773D+00 -0.383760D+00 -0.662269D+01
      2  -0.332748D+01 -0.695773D+00  0.312267D+01  0.951975D+00 -0.750269D+00
      3  -0.318204D+01 -0.383760D+00  0.951975D+00  0.209888D+01 -0.100601D+01
                41            42            43            44            45 
      1  -0.750269D+00 -0.100601D+01 -0.195374D+01 -0.821567D+00  0.312243D+01
      2  -0.914804D+00  0.157885D+01 -0.821567D+00  0.209573D+01 -0.310752D+01
      3   0.157885D+01 -0.209774D+01  0.312243D+01 -0.310752D+01 -0.184306D+01
                46            47            48            49            50 
      1   0.658494D+01  0.556609D+00 -0.480143D+00  0.133732D+01 -0.888094D+00
      2   0.556609D+00  0.359149D+01  0.286457D-01 -0.888094D+00  0.205755D+00
      3  -0.480143D+00  0.286457D-01  0.334181D+01 -0.159863D+01 -0.691759D+00
                51            52            53            54            55 
      1  -0.159863D+01 -0.231682D-02 -0.159606D+01  0.547743D+01  0.515895D+01
      2  -0.691759D+00 -0.159606D+01  0.290584D-01  0.420104D+00  0.651497D+00
      3   0.110431D+00  0.547743D+01  0.420104D+00  0.105197D+01 -0.139201D+01
                56            57            58            59            60 
      1   0.651497D+00 -0.139201D+01  0.451660D+00  0.247196D+01 -0.306257D+01
      2   0.125585D+01 -0.137381D+01  0.247196D+01  0.619130D+01  0.405231D+01
      3  -0.137381D+01  0.302888D+01 -0.306257D+01  0.405231D+01  0.909399D+00
                61            62            63            64            65 
      1  -0.689171D+01 -0.241324D+01  0.538864D+01  0.801119D+01  0.119286D+01
      2  -0.241324D+01  0.386393D+01  0.314995D+01  0.119286D+01 -0.945242D+00
      3   0.538864D+01  0.314995D+01 -0.270765D+01  0.150610D+01  0.645333D+00
                66            67            68            69            70 
      1   0.150610D+01  0.319112D+01 -0.183817D+01  0.148039D+01  0.130058D+01
      2   0.645333D+00 -0.183817D+01  0.736670D-01 -0.182204D+01  0.533638D+00
      3  -0.207349D+01  0.148039D+01 -0.182204D+01 -0.121164D+01 -0.188063D+01
                71            72            73            74            75 
      1   0.533638D+00 -0.188063D+01  0.101364D+02  0.231299D+01 -0.334930D+00
      2  -0.426133D+00 -0.166748D+01  0.231299D+01 -0.223790D+01  0.123639D+01
      3  -0.166748D+01  0.565462D+01 -0.334930D+00  0.123639D+01 -0.328314D+01
                76            77            78            79            80 
      1   0.167247D+01 -0.195353D+01  0.186461D+01  0.680468D+01  0.214275D+01
      2  -0.195353D+01  0.330396D+00 -0.463425D+01  0.214275D+01 -0.262765D+01
      3   0.186461D+01 -0.463425D+01 -0.124376D+01 -0.478189D+01 -0.195980D+01
                81            82            83            84            85 
      1  -0.478189D+01 -0.139603D+02  0.107419D+01 -0.290600D+01  0.171621D+00
      2  -0.195980D+01  0.107419D+01 -0.798929D+00  0.528234D+00 -0.536395D+00
      3   0.208140D+01 -0.290600D+01  0.528234D+00 -0.187359D+01  0.269664D+00
                86            87            88            89            90 
      1  -0.536395D+00  0.269664D+00 -0.148665D+00  0.237005D+00 -0.897275D+00
      2   0.761962D+00  0.116888D+00  0.237005D+00  0.546453D+00  0.237129D+00
      3   0.116888D+00  0.662585D-01 -0.897275D+00  0.237129D+00 -0.493834D+00
                91            92            93            94            95 
      1   0.249333D-01 -0.131175D+01 -0.401833D+00 -0.274609D+01 -0.150843D+01
      2  -0.131175D+01 -0.144573D+01 -0.288275D+00 -0.150843D+01 -0.730056D+01
      3  -0.401833D+00 -0.288275D+00 -0.942990D+00 -0.311430D+00 -0.214818D+01
                96            97            98            99           100 
      1  -0.311430D+00 -0.448843D+00 -0.307502D+00 -0.118067D+01 -0.458306D+00
      2  -0.214818D+01 -0.307502D+00 -0.339343D+01 -0.220835D+01  0.486576D+00
      3  -0.196102D+01 -0.118067D+01 -0.220835D+01 -0.164566D+01  0.388410D+00
               101           102           103           104           105 
      1   0.486576D+00  0.388410D+00  0.167688D+01 -0.347472D-01 -0.799814D+00
      2   0.374896D+00  0.404710D-01 -0.347472D-01  0.321704D+01  0.232512D+01
      3   0.404710D-01  0.826720D+00 -0.799814D+00  0.232512D+01  0.350086D+01
               106           107           108           109           110 
      1   0.703273D+00 -0.201920D+00 -0.828665D-01  0.108802D+00 -0.106924D+01
      2  -0.201920D+00  0.192751D+01  0.161016D+01 -0.106924D+01  0.145579D+01
      3  -0.828665D-01  0.161016D+01  0.364199D+01  0.601302D+00 -0.102923D+01
               111           112           113           114           115 
      1   0.601302D+00 -0.149694D+01  0.549152D+00 -0.243653D+00  0.220782D+00
      2  -0.102923D+01  0.549152D+00 -0.453519D+01  0.287662D+01 -0.426105D+00
      3   0.168790D+01 -0.243653D+00  0.287662D+01 -0.259517D+01  0.470862D+00
               116           117           118           119           120 
      1  -0.426105D+00  0.470862D+00 -0.147954D+02 -0.235181D+01  0.216382D+01
      2   0.185778D+01 -0.168934D+01 -0.235181D+01 -0.123539D+01  0.413513D+00
      3  -0.168934D+01  0.256861D+01  0.216382D+01  0.413513D+00 -0.158686D+01
               121           122           123           124           125 
      1  -0.229581D+01 -0.162755D+01  0.223566D+00 -0.124112D+01 -0.305041D+00
      2  -0.162755D+01 -0.897987D+00  0.655816D+00 -0.305041D+00  0.123426D-01
      3   0.223566D+00  0.655816D+00 -0.241459D+00 -0.750407D+00 -0.402127D-01
               126           127           128           129           130 
      1  -0.750407D+00 -0.164411D+01 -0.168134D+01 -0.555305D+00 -0.150314D+01
      2  -0.402127D-01 -0.168134D+01 -0.211857D+01 -0.650343D+00 -0.201249D+01
      3  -0.310164D-01 -0.555305D+00 -0.650343D+00 -0.326166D+00 -0.555220D+00
               131           132           133           134           135 
      1  -0.201249D+01 -0.555220D+00 -0.648592D+00 -0.723437D+00 -0.132924D+00
      2  -0.796940D+01 -0.215393D+01 -0.723437D+00 -0.226666D+01 -0.662652D+00
      3  -0.215393D+01 -0.126516D+01 -0.132924D+00 -0.662652D+00 -0.359263D+00
               136           137           138           139           140 
      1   0.499343D+01 -0.395795D+01 -0.752068D+00 -0.380246D+01  0.456350D+01
      2  -0.395795D+01  0.356157D+01  0.587855D+00  0.456350D+01 -0.653362D+01
      3  -0.752068D+00  0.587855D+00  0.543547D+00  0.995656D+00 -0.129595D+01
               141           142           143           144           145 
      1   0.995656D+00 -0.740023D+00  0.856786D+00  0.194187D+00  0.135806D+02
      2  -0.129595D+01  0.856786D+00 -0.152969D+01 -0.258091D+00  0.123554D+01
      3  -0.852428D+00  0.194187D+00 -0.258091D+00 -0.185413D+00  0.105170D+01
               146           147           148           149           150 
      1   0.123554D+01  0.105170D+01  0.115469D+01  0.167260D+01  0.520925D+00
      2   0.801319D+00  0.901000D-01  0.167260D+01  0.450046D+00  0.160195D+00
      3   0.901000D-01  0.790130D+00  0.520925D+00  0.160195D+00  0.125748D+00
               151           152           153           154           155 
      1   0.103188D+01  0.488165D+00  0.845570D-02  0.236003D+01  0.269138D+01
      2   0.488165D+00  0.118622D+00  0.178169D-01  0.269138D+01  0.285742D+01
      3   0.845570D-02  0.178169D-01  0.148308D+00  0.775405D+00  0.766358D+00
               156           157           158           159           160 
      1   0.775405D+00  0.236182D+01  0.390093D+01  0.103960D+01  0.842072D+00
      2   0.766358D+00  0.390093D+01  0.925953D+01  0.227839D+01  0.115313D+01
      3   0.488386D+00  0.103960D+01  0.227839D+01  0.128167D+01  0.304356D+00
               161           162           163           164           165 
      1   0.115313D+01  0.304356D+00 -0.366444D+01  0.215614D+01  0.782922D-01
      2   0.241891D+01  0.555564D+00  0.215614D+01 -0.250746D+01 -0.336209D+00
      3   0.555564D+00  0.318958D+00  0.782922D-01 -0.336209D+00 -0.368249D+00
               166           167           168           169           170 
      1   0.241587D+01 -0.273391D+01 -0.520995D+00  0.221205D+00 -0.514274D+00
      2  -0.273391D+01  0.559758D+01  0.921625D+00 -0.514274D+00  0.116066D+01
      3  -0.520995D+00  0.921625D+00  0.790943D+00 -0.615001D-01  0.249591D+00
               171           172           173           174           175 
      1  -0.615001D-01  0.689844D+00  0.262832D-01 -0.685433D+00 -0.689825D-01
      2   0.249591D+00  0.262832D-01  0.683322D+00 -0.782922D+00 -0.386279D+00
      3   0.253623D+00 -0.685433D+00 -0.782922D+00  0.279657D+01  0.279460D-02
               176           177           178           179           180 
      1  -0.386279D+00  0.279460D-02 -0.137262D+01  0.122850D+00 -0.292398D+00
      2   0.162160D+01 -0.906168D+00  0.122850D+00 -0.119760D+01  0.255506D+01
      3  -0.906168D+00  0.253737D+01 -0.292398D+00  0.255506D+01 -0.890774D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.282143D-01  0.130635D+01 -0.256269D+01  0.175554D+01  0.267540D+00
      2  -0.102870D+01  0.311191D+01  0.176463D+00  0.142861D+01 -0.383730D+01
      3   0.364023D+01 -0.133533D+02 -0.278390D+01  0.321232D+01 -0.141575D+01
                 6             7             8             9            10 
      1  -0.390929D+01 -0.506387D+01  0.873497D+00 -0.143863D+01 -0.582307D+00
      2   0.584901D+01 -0.884320D+01  0.882486D+01  0.505919D+01  0.180568D+01
      3   0.233829D+01 -0.798464D+00  0.314315D+01 -0.463186D+01  0.134815D+00
                11            12            13            14            15 
      1  -0.499557D+00  0.362078D+01 -0.792105D+00  0.318422D+00 -0.251386D+01
      2   0.278070D+00 -0.170512D+01  0.487346D+01  0.935177D+00  0.612802D+00
      3   0.154046D+01  0.150787D+01  0.200613D+01 -0.735011D+01  0.891770D+00
                16            17            18            19            20 
      1   0.707122D+01  0.298616D+01  0.389214D+00 -0.126639D+01 -0.487711D+00
      2  -0.122657D+02 -0.911578D-01  0.634996D+00 -0.427888D+01 -0.133634D+01
      3  -0.129697D+01  0.202806D+00 -0.605835D+01  0.656372D+00  0.838957D+01
                21            22            23            24            25 
      1   0.336526D-01 -0.105329D+01 -0.418006D+01  0.107338D+01 -0.216585D+00
      2  -0.177508D+01 -0.170388D+01  0.686692D+00  0.186763D+00 -0.158066D+02
      3   0.122666D+01  0.189242D+02  0.232131D+01 -0.216819D+01 -0.120221D+00
                26            27            28            29            30 
      1   0.101622D+02  0.279438D+01  0.307855D+00  0.182510D+01 -0.278438D+01
      2   0.536818D+00  0.211272D-01  0.415533D+01  0.143083D+01 -0.136133D+01
      3  -0.110153D+01  0.174610D+00 -0.560536D+01 -0.193116D+01 -0.242824D+01
                31            32            33            34            35 
      1   0.108248D+01  0.103581D+01 -0.309493D+01 -0.543026D+01  0.119290D+01
      2   0.203880D+01 -0.718867D+00 -0.128311D+01 -0.143381D+02 -0.147827D+01
      3   0.304667D+01  0.659507D+01  0.103628D+00 -0.275610D+01 -0.832868D+00
                36            37            38            39            40 
      1  -0.100669D+01 -0.631666D+00 -0.147077D+01  0.372594D+01 -0.173311D+01
      2  -0.289676D+01 -0.129078D+01  0.222475D+01  0.289274D+01 -0.117599D+01
      3   0.539347D+01  0.344821D+01 -0.114640D+02 -0.231160D+01  0.708885D+01
                41            42            43            44            45 
      1  -0.319272D+00 -0.245970D+01  0.723323D+01  0.335737D+01  0.135077D+01
      2   0.426826D+01 -0.678544D+01 -0.404836D+01 -0.988504D+01 -0.516819D+01
      3   0.214610D+01 -0.290930D+01 -0.719855D-01 -0.393563D+01  0.391834D+01
                46            47            48            49            50 
      1   0.466921D+00 -0.450518D+00 -0.122731D+01 -0.920140D+00 -0.309729D+01
      2   0.402420D+00 -0.646987D+00  0.958861D+01 -0.557408D+01 -0.216524D+00
      3  -0.270793D+01 -0.785793D+01  0.407776D+00  0.125133D+02 -0.179724D+01
                51            52            53            54            55 
      1   0.273837D+01 -0.219647D+01  0.113420D+02  0.337282D+01 -0.104478D+01
      2   0.118307D+01  0.849434D+01  0.212971D+01  0.269664D+01  0.402656D+01
      3   0.157175D+01  0.478677D+01  0.102236D+01 -0.413164D+00 -0.108786D+01
                56            57            58            59            60 
      1  -0.982909D+00 -0.120259D+01  0.346544D+01  0.418356D+01  0.144302D+01
      2   0.155859D+01 -0.429612D+01  0.299217D+01 -0.850014D+01 -0.221470D+01
      3   0.637525D+00  0.784257D+00  0.844040D+01  0.758502D+01  0.872588D+01
                61            62            63            64            65 
      1   0.323260D+01  0.357524D+01 -0.195892D+01 -0.270806D+01  0.281645D+01
      2  -0.169980D+02 -0.769647D+01  0.431573D+01  0.274024D+01 -0.165148D+01
      3  -0.394858D-01  0.138896D+02  0.446655D+01  0.184902D+02 -0.857878D+01
                66            67            68            69            70 
      1   0.328243D+01  0.512518D-01 -0.268255D+01 -0.144354D+01 -0.102211D+01
      2   0.105897D+02  0.516799D+00  0.259778D+01  0.342157D+01  0.133270D+01
      3   0.564870D+01  0.293456D+01  0.230229D+01 -0.447954D+01  0.229446D+01
                71            72            73            74            75 
      1   0.754264D+01 -0.830938D+01  0.404495D+01 -0.327353D+01 -0.102211D+00
      2   0.590320D+01 -0.150988D+02 -0.141510D+02 -0.624450D+01  0.122511D+02
      3  -0.184054D+01 -0.654016D+01  0.203779D+00 -0.105270D+02  0.209396D+01
                76            77            78            79            80 
      1  -0.579647D+00 -0.132742D+01 -0.120831D+02 -0.154486D+01 -0.619044D+01
      2  -0.622717D+01  0.148010D+02  0.184410D+01  0.880439D+01  0.367907D+01
      3  -0.281923D+01  0.284616D+01 -0.156505D+02  0.803273D+00 -0.130958D+02
                81            82            83            84            85 
      1  -0.928947D+00  0.264655D+01  0.991344D+00  0.148836D+01 -0.522551D+00
      2   0.834852D-01 -0.458162D+01 -0.203712D+00  0.561842D+01 -0.123302D+01
      3  -0.184168D+01 -0.129813D+02 -0.475576D+01 -0.228868D+01 -0.108447D+01
                86            87            88            89            90 
      1  -0.405391D+00 -0.642328D+00 -0.153029D+00  0.125255D+00 -0.413929D-02
      2  -0.627871D+00  0.826769D+00  0.662176D+00  0.162803D-01  0.910246D+00
      3   0.127668D+01  0.107114D+01 -0.832942D-02  0.761438D+00 -0.123474D+00
                91            92            93            94            95 
      1  -0.921630D+00 -0.211179D+00 -0.881743D+00 -0.127663D+01 -0.309177D+00
      2   0.108538D+01  0.429130D+00  0.277859D+01 -0.745933D+00  0.415044D+01
      3  -0.329045D+01 -0.291127D+01 -0.476915D+00  0.389663D+01 -0.135220D+02
                96            97            98            99           100 
      1  -0.503633D+01 -0.101797D+01  0.286758D+00 -0.236317D+01  0.161800D+01
      2   0.372201D+01  0.163357D+00  0.332748D+01  0.276963D+01 -0.167695D+01
      3  -0.389951D+01  0.151532D+01 -0.681119D+01 -0.321119D+01  0.236874D+01
               101           102           103           104           105 
      1   0.137119D+01  0.307894D+00  0.495808D+00  0.808017D+01  0.388109D+01
      2  -0.106747D+01 -0.197154D+01 -0.170022D+01 -0.681095D+01 -0.814392D+01
      3   0.106286D+01  0.111797D+00  0.185245D+01  0.917983D+01  0.698902D+01
               106           107           108           109           110 
      1  -0.369135D+00  0.607501D+01  0.457313D+01 -0.175547D+01  0.230072D+01
      2  -0.242161D+01 -0.422260D+01 -0.851800D+01 -0.332218D+01  0.356480D+01
      3  -0.289845D+00  0.559695D+01  0.479673D+01 -0.434835D+01  0.440320D+01
               111           112           113           114           115 
      1   0.489078D+00  0.126758D+01 -0.538052D+01  0.220606D+00  0.355054D+00
      2  -0.364107D+01  0.399887D+01 -0.836800D+01  0.639877D+01 -0.350778D+01
      3  -0.248334D+01  0.557402D+01 -0.115621D+02  0.745145D+01 -0.154690D+01
               116           117           118           119           120 
      1   0.358158D+01 -0.405791D-01 -0.132355D+01 -0.210647D+01 -0.144827D+01
      2   0.473711D+01 -0.635693D+01  0.106884D+02  0.128115D+01  0.665875D+01
      3   0.518312D+01 -0.500455D+01  0.359935D+01 -0.581300D+01  0.115875D+00
               121           122           123           124           125 
      1  -0.178400D+01 -0.534553D+00 -0.997144D-01 -0.958474D+00  0.105335D+01
      2   0.197128D+01 -0.420050D+00  0.104644D+01  0.132999D+01  0.143634D-01
      3  -0.185766D+01 -0.168916D+01  0.185633D+01 -0.804608D-01  0.142392D+01
               126           127           128           129           130 
      1  -0.259291D+00  0.125432D+00  0.357085D+00 -0.142093D+01  0.109083D+00
      2   0.648197D+00 -0.186440D+01 -0.113103D+01  0.124662D+00 -0.178536D+01
      3   0.772765D+00  0.666568D+01  0.326977D+01  0.137597D+01  0.701941D+01
               131           132           133           134           135 
      1   0.860625D+00 -0.390106D+01  0.667557D+00  0.231206D+01 -0.567295D+00
      2  -0.237340D+01  0.119125D+00 -0.203563D+01 -0.675040D+00  0.125949D+00
      3   0.844095D+01  0.268008D+01  0.248891D+01  0.241566D+01  0.476469D+00
               136           137           138           139           140 
      1   0.200613D+00 -0.617198D+00  0.217761D+01  0.294731D+00  0.259778D+00
      2   0.163045D-01  0.126974D+00  0.278973D+01  0.966740D+00 -0.184317D+01
      3   0.163590D+01 -0.506456D+01 -0.370329D+00 -0.355356D+01  0.109770D+02
               141           142           143           144           145 
      1  -0.327163D+01 -0.100454D+01  0.168043D+01 -0.416791D+00 -0.170372D+00
      2  -0.327551D+01 -0.783303D+00  0.511340D+00 -0.486925D+00  0.127934D+01
      3   0.173420D+01 -0.112409D+01  0.267334D+01  0.317567D+00 -0.505595D+00
               146           147           148           149           150 
      1   0.387664D+00 -0.559357D+00  0.218688D-01  0.387328D-01 -0.475045D+00
      2   0.108720D-01  0.595544D+01  0.184768D+01  0.387779D+00  0.830155D+00
      3  -0.533689D+01  0.693530D-01 -0.390250D+01 -0.120767D+01 -0.430532D+00
               151           152           153           154           155 
      1   0.393954D+00  0.521537D+00 -0.655458D-01 -0.244132D+00  0.131297D+00
      2  -0.283405D+01 -0.194121D+00  0.423022D+00  0.327926D+00  0.679871D+00
      3  -0.153184D+01 -0.780792D+00 -0.161146D-01 -0.768620D+00 -0.276220D+01
               156           157           158           159           160 
      1  -0.163206D+01 -0.260464D+00  0.476748D+00 -0.429183D+01  0.552449D+00
      2   0.170223D+01  0.657527D+00  0.328377D+01  0.331164D+01 -0.558628D+00
      3  -0.502399D+00 -0.143475D+01 -0.134397D+02 -0.301239D+01 -0.379610D+00
               161           162           163           164           165 
      1   0.203245D+01 -0.641423D+00  0.103536D+01 -0.848377D+00  0.215117D+01
      2   0.183259D+00  0.777685D+00  0.246398D+01 -0.937334D+00  0.626308D+00
      3  -0.361222D+01 -0.742041D+00 -0.107317D+02  0.378713D+01 -0.263171D+00
               166           167           168           169           170 
      1  -0.144174D+00  0.257644D-01 -0.309430D+01 -0.205071D+00  0.201314D+01
      2  -0.106002D+01  0.132107D+01 -0.115289D+01 -0.168802D+01  0.504179D+00
      3   0.717980D+01 -0.485283D+01 -0.119895D+01 -0.138764D+00 -0.137241D+01
               171           172           173           174           175 
      1  -0.274373D+00  0.174455D+00 -0.538973D+00 -0.345537D+01 -0.117663D+00
      2  -0.495292D+00  0.384294D+01  0.145924D+01 -0.660354D+01 -0.862476D-01
      3  -0.453682D-01  0.107665D+01  0.175894D+01 -0.237691D+01  0.482209D+00
               176           177           178           179           180 
      1  -0.248257D+00 -0.343874D+01 -0.216366D+00  0.983227D+00  0.873813D+01
      2   0.128429D+01 -0.649666D+01 -0.417671D+01 -0.623884D+01  0.199113D+02
      3   0.328004D+01 -0.102092D+01 -0.170567D+01 -0.292937D+01  0.831145D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.699970D+01 -0.210913D+02 -0.324694D+01  0.235086D+02  0.116465D+02
      2  -0.696171D+01  0.131480D+02  0.328764D+00 -0.206033D+02 -0.149106D+02
      3  -0.379912D-01  0.794329D+01  0.291817D+01 -0.290539D+01  0.326410D+01
      4  -0.145219D+02 -0.584731D+01 -0.349186D+01  0.114377D+02 -0.260669D+01
      5  -0.685931D+01 -0.143942D+01 -0.331480D+01  0.757606D-01 -0.846467D+01
      6  -0.484322D+01 -0.190440D+01  0.482738D+01 -0.647931D+01 -0.126434D+02
                 6             7             8             9            10 
      1   0.391055D+01  0.562226D+01  0.921527D+00 -0.600385D+01  0.152171D+01
      2  -0.826183D+01 -0.920675D+01 -0.980285D+01 -0.584554D+01 -0.189164D+01
      3   0.435128D+01  0.358449D+01  0.888133D+01  0.118494D+02  0.369928D+00
      4  -0.810225D+01 -0.332765D+01 -0.110875D+02  0.134553D+02  0.855300D+01
      5   0.118300D+02  0.132193D+02  0.136198D+02  0.110525D+02  0.391393D+01
      6   0.599196D+01  0.513403D+01  0.132717D+02  0.376317D+01  0.242502D+01
                11            12            13            14            15 
      1   0.169009D+02  0.492691D+01 -0.485355D+01 -0.485703D+00  0.486142D+01
      2  -0.121695D+02  0.107946D+01  0.126648D+02 -0.272879D+01 -0.377061D+01
      3  -0.473145D+01 -0.600637D+01 -0.781128D+01  0.321449D+01 -0.109081D+01
      4  -0.131089D+02 -0.893959D+00  0.161869D+01  0.128356D+02  0.301733D+01
      5  -0.195239D+01 -0.270260D+01  0.432982D+01  0.286011D+01 -0.102223D+01
      6  -0.506785D+00 -0.734283D+01  0.892662D+01 -0.569971D+01  0.538423D+01
                16            17            18            19            20 
      1  -0.214982D+01  0.516107D+01 -0.138401D+02 -0.203790D+02 -0.308541D+01
      2   0.841744D+01 -0.729555D+01  0.194459D+01  0.523018D+01  0.313162D+01
      3  -0.626762D+01  0.213448D+01  0.118955D+02  0.151489D+02 -0.462086D-01
      4   0.276647D+01  0.995040D+00  0.391299D+01  0.610031D+01  0.233650D+01
      5   0.317945D+01  0.269490D+01 -0.635714D+00 -0.109579D+02 -0.176106D+01
      6  -0.241407D+01  0.107583D+02  0.135083D+00 -0.486120D+01  0.293770D+00
                21            22            23            24            25 
      1  -0.458752D+01 -0.927921D+00 -0.632304D+01 -0.148636D+01 -0.695482D+01
      2   0.354460D+00 -0.189748D+01  0.130034D+02  0.831850D+01 -0.892519D+00
      3   0.423305D+01  0.282540D+01 -0.668036D+01 -0.683214D+01  0.784734D+01
      4  -0.130287D+01 -0.633700D+01 -0.121219D+01  0.200976D+01 -0.635612D+01
      5   0.115841D+01 -0.664024D+01  0.192026D+01 -0.477435D+00  0.702352D+01
      6   0.151811D+01 -0.238282D+01  0.631472D+01 -0.152913D+01  0.290995D+00
                26            27            28            29            30 
      1  -0.224162D+01 -0.774945D+01  0.125549D+02 -0.967127D+01  0.217326D+00
      2   0.432340D+01 -0.334744D+01 -0.775492D+01  0.677997D+01 -0.262060D+01
      3  -0.208178D+01  0.110969D+02 -0.479998D+01  0.289130D+01  0.240327D+01
      4   0.285205D+01  0.169876D+01 -0.505044D+01 -0.197055D+02 -0.381370D+01
      5   0.116567D+01 -0.395856D+00  0.315385D+01 -0.267110D+01 -0.599503D+01
      6   0.786042D+01 -0.335542D+01 -0.117360D+01 -0.255600D+01  0.591839D+01
                31            32            33            34            35 
      1   0.260135D+01  0.753618D+01  0.515267D+01  0.319193D+01  0.391246D+01
      2  -0.107309D+02 -0.105267D+02 -0.862922D+01 -0.526926D+01 -0.115568D+02
      3   0.812957D+01  0.299054D+01  0.347656D+01  0.207733D+01  0.764437D+01
      4   0.112234D+02 -0.135965D+02 -0.301112D+01 -0.148164D+01 -0.298926D+01
      5  -0.131429D+01 -0.320668D+01 -0.103944D+00  0.403696D+01 -0.617270D+01
      6  -0.703323D+01 -0.113617D+02  0.376605D+01  0.106268D+01  0.120716D+02
                36            37            38            39            40 
      1  -0.156763D+02 -0.176858D+01  0.239090D+02  0.632956D+01 -0.295973D+02
      2  -0.968069D+00 -0.255201D+01 -0.146869D+02  0.115379D+01  0.279540D+02
      3   0.166443D+02  0.432059D+01 -0.922202D+01 -0.748335D+01  0.164321D+01
      4  -0.757876D+01  0.159089D+02  0.329648D+01  0.226015D+01  0.165289D+01
      5  -0.489597D+01 -0.404391D+00  0.222456D+00  0.581910D+01 -0.652814D+01
      6   0.481592D+01 -0.313917D-02 -0.943245D+00 -0.839061D+01  0.878392D+01
                41            42            43            44            45 
      1   0.335101D+01  0.957862D+00 -0.971945D+01  0.412587D+01  0.219737D+01
      2  -0.672507D+01 -0.163657D+01  0.118166D+02 -0.870670D+01 -0.884330D+01
      3   0.337406D+01  0.678704D+00 -0.209713D+01  0.458083D+01  0.664593D+01
      4   0.967837D+01  0.115977D+02 -0.234689D+01  0.101456D+02 -0.141447D+02
      5   0.985694D+01 -0.139857D+02  0.197933D+02 -0.142253D+02 -0.109141D+02
      6  -0.780082D+01  0.508184D+01 -0.585605D+01  0.117023D+02 -0.437914D+00
                46            47            48            49            50 
      1  -0.125377D+02 -0.440651D+01 -0.598156D+01  0.958894D+01 -0.194570D+02
      2   0.762759D+01  0.356181D+01  0.192193D+01 -0.816009D+01  0.167993D+02
      3   0.491014D+01  0.844702D+00  0.405963D+01 -0.142885D+01  0.265766D+01
      4  -0.257883D+01  0.253305D+02  0.102424D+00 -0.200471D+02 -0.350744D+01
      5  -0.409127D+01 -0.153637D+00  0.222988D+02 -0.149834D+02 -0.123056D+01
      6   0.674457D+00  0.253274D+00  0.275573D+01 -0.313744D+01  0.463275D+01
                51            52            53            54            55 
      1  -0.879350D+01 -0.342553D+01 -0.918271D+01  0.137883D+02  0.129754D+02
      2   0.120448D+02 -0.790014D+00  0.621203D+01 -0.165201D+02 -0.273698D+01
      3  -0.325134D+01  0.421555D+01  0.297068D+01  0.273177D+01 -0.102385D+02
      4  -0.419365D+01 -0.154591D+02 -0.157369D+01  0.184710D+01  0.166118D+01
      5   0.234423D+01  0.361972D+02  0.302925D+01  0.588545D+01  0.784401D+01
      6  -0.474550D+01  0.125530D+01  0.723816D+01 -0.487106D+01  0.334603D+01
                56            57            58            59            60 
      1   0.441962D+00 -0.241415D+01  0.132942D+02  0.741322D+01  0.875994D+01
      2   0.385535D+01 -0.165434D+01 -0.849993D+01 -0.149660D+02 -0.199844D+02
      3  -0.429731D+01  0.406849D+01 -0.479423D+01  0.755278D+01  0.112245D+02
      4  -0.135807D+02  0.375824D+01 -0.137097D+02 -0.254997D+02 -0.194361D+02
      5   0.388580D+01 -0.189012D+02  0.213026D+02 -0.166146D+02 -0.105574D+01
      6  -0.492927D+00 -0.697878D+00 -0.636477D+01 -0.136854D+02 -0.612783D+01
                61            62            63            64            65 
      1   0.719727D+01  0.823519D+01 -0.718200D+01 -0.410885D+02  0.146104D+01
      2  -0.139695D+02 -0.383197D+01  0.805683D+01  0.276091D+02 -0.702444D+01
      3   0.677224D+01 -0.440322D+01 -0.874836D+00  0.134794D+02  0.556339D+01
      4   0.175083D+02 -0.216443D+02 -0.150384D+02 -0.786010D+00  0.146890D+02
      5  -0.334276D+02 -0.145674D+02  0.115915D+02 -0.192889D+02 -0.751254D+00
      6  -0.904070D+01 -0.115108D+02  0.352850D+01 -0.566278D+00  0.122774D+01
                66            67            68            69            70 
      1  -0.117180D+02 -0.106045D+02 -0.465494D+01 -0.322747D+01 -0.898882D+01
      2   0.115129D+01  0.145382D+01  0.157174D+02 -0.259113D+01  0.209630D+01
      3   0.105668D+02  0.915069D+01 -0.110625D+02  0.581859D+01  0.689252D+01
      4   0.145706D+01  0.176079D+02 -0.642789D+01  0.114238D+02 -0.178755D+01
      5   0.130983D+02 -0.105748D+02  0.983650D+01  0.371905D+01  0.116620D+02
      6  -0.363526D+01  0.620830D+01 -0.414378D+01  0.601494D+01 -0.157793D+01
                71            72            73            74            75 
      1   0.199583D+00  0.175858D+02 -0.616163D+02 -0.175069D+02  0.117871D+02
      2  -0.104276D+02  0.453172D+00  0.248563D+02  0.106569D+02 -0.190336D+01
      3   0.102280D+02 -0.180390D+02  0.367600D+02  0.684997D+01 -0.988371D+01
      4   0.445298D+01  0.352720D+01 -0.240691D+02  0.838066D+01 -0.318646D+01
      5   0.601434D+01 -0.178056D+02  0.168213D+02 -0.411875D+00  0.147042D+02
      6   0.431020D+01  0.938486D+01  0.466329D+01 -0.707217D+01  0.412004D+01
                76            77            78            79            80 
      1  -0.184356D+02  0.197928D+02 -0.459642D+01 -0.890479D-01 -0.637997D+01
      2   0.970042D+01 -0.540543D+01  0.147424D+02  0.106438D+02  0.119965D+02
      3   0.873519D+01 -0.143873D+02 -0.101460D+02 -0.105547D+02 -0.561656D+01
      4   0.750329D+01  0.259610D+01  0.197761D+02 -0.106077D+02  0.128930D+02
      5  -0.490617D+01  0.149726D+02  0.862752D+01  0.279771D+02  0.122174D+02
      6  -0.391195D+01  0.392783D+01 -0.133005D+02  0.971368D+01 -0.789610D+01
                81            82            83            84            85 
      1   0.130490D+02  0.794497D+02 -0.353068D+01  0.119753D+02  0.382913D+01
      2  -0.136355D+02 -0.475825D+02  0.180054D+01 -0.107942D+02 -0.886495D+00
      3   0.586489D+00 -0.318672D+02  0.173014D+01 -0.118117D+01 -0.294263D+01
      4   0.125466D+02 -0.158453D+02  0.718282D+01 -0.443720D+01  0.572002D+01
      5  -0.157416D+02  0.337806D+02 -0.360477D+01  0.160188D+02 -0.161848D+01
      6  -0.613337D+01 -0.331815D+01  0.223946D+01 -0.286050D+01  0.205216D+01
                86            87            88            89            90 
      1   0.248386D+01 -0.252035D+01  0.316392D+01 -0.125447D+01  0.361604D+01
      2   0.248537D+00  0.189733D+01 -0.235646D+01  0.100660D+01 -0.367385D+01
      3  -0.273240D+01  0.623017D+00 -0.807460D+00  0.247871D+00  0.578120D-01
      4  -0.254840D+01  0.235060D+00 -0.263018D+01 -0.473151D+00 -0.146307D+01
      5   0.145809D+00 -0.103264D+01  0.964186D+01 -0.161499D+01  0.491437D+01
      6  -0.334487D+00  0.133954D+01 -0.137449D+01  0.106954D+01 -0.896015D+00
                91            92            93            94            95 
      1   0.101116D+01  0.220472D+01  0.191316D+01  0.103003D-01 -0.146819D+02
      2   0.221763D+01  0.343370D+00  0.434789D+00  0.300717D+01  0.237354D+02
      3  -0.322879D+01 -0.254809D+01 -0.234795D+01 -0.301747D+01 -0.905359D+01
      4   0.773303D+01  0.134683D+02  0.313380D+01  0.111808D+02  0.326483D+02
      5   0.205617D+01  0.304588D+01  0.774006D+01  0.216690D+01  0.808391D+01
      6   0.429932D+01  0.210285D+01  0.105632D+01  0.306046D+01  0.175858D+02
                96            97            98            99           100 
      1  -0.539626D+01  0.126061D-01 -0.760997D+01 -0.557792D+01  0.427212D+01
      2   0.860235D+01  0.182987D+01  0.602735D+01  0.232177D+01 -0.270321D+01
      3  -0.320609D+01 -0.184248D+01  0.158262D+01  0.325615D+01 -0.156891D+01
      4   0.929335D+01  0.264096D+01  0.153444D+02  0.955880D+01 -0.676825D+00
      5   0.819416D+01  0.781333D+01  0.853010D+01  0.614276D+01 -0.262976D+01
      6   0.104726D+02  0.333927D+01  0.140254D+02  0.941709D+01  0.199869D+01
               101           102           103           104           105 
      1  -0.146240D+01 -0.560896D+01 -0.510320D+01 -0.778416D+01 -0.602035D+01
      2   0.612369D+00  0.308709D+00  0.366692D+01 -0.403899D+00 -0.658693D+01
      3   0.850030D+00  0.530025D+01  0.143628D+01  0.818806D+01  0.126073D+02
      4  -0.274755D+00  0.350089D+00  0.193143D+01 -0.163252D+02 -0.114147D+02
      5   0.163788D+01  0.327372D-01  0.758323D+01 -0.950695D+01 -0.156921D+02
      6   0.156312D+01 -0.679603D-02 -0.441925D+00  0.119061D+02  0.102321D+02
               106           107           108           109           110 
      1  -0.390609D+01 -0.423181D+01 -0.108112D+02 -0.730592D+00  0.967560D+01
      2   0.258593D+01 -0.536131D+01 -0.707321D+01  0.156051D+01 -0.651927D+01
      3   0.132017D+01  0.959312D+01  0.178844D+02 -0.829918D+00 -0.315633D+01
      4   0.655972D+00 -0.969674D+01 -0.813309D+01  0.226496D+01 -0.251266D+01
      5   0.439505D+01 -0.684143D+01 -0.144958D+02 -0.199771D+00 -0.138059D+00
      6  -0.599523D+00  0.934184D+01  0.755568D+01 -0.375646D+01  0.641554D+01
               111           112           113           114           115 
      1  -0.844462D+01  0.964222D+01 -0.202265D+02  0.128602D+02 -0.418870D+01
      2   0.226237D+01 -0.533682D+01  0.172977D+02 -0.597435D+01  0.809635D+00
      3   0.618225D+01 -0.430540D+01  0.292881D+01 -0.688589D+01  0.337907D+01
      4   0.162177D+01  0.224733D+01  0.161915D+02 -0.106867D+02  0.422846D+00
      5  -0.278226D+01 -0.406143D+01 -0.795950D+01  0.788580D+01  0.218351D+01
      6  -0.538611D+01  0.224464D+01 -0.185555D+02  0.149472D+02 -0.264392D+01
               116           117           118           119           120 
      1   0.100490D+02 -0.138315D+02  0.872963D+02  0.112909D+02 -0.683307D+01
      2  -0.348187D+01  0.144817D+01 -0.438552D+02 -0.383523D+01  0.748076D+01
      3  -0.656715D+01  0.123834D+02 -0.434411D+02 -0.745566D+01 -0.647685D+00
      4  -0.682816D+01  0.510732D+01  0.271432D+02  0.147128D+02 -0.376036D+01
      5   0.434874D+01 -0.668904D+01 -0.322274D+02 -0.539024D+01  0.157266D+02
      6   0.128864D+02 -0.114273D+02 -0.570908D+01 -0.375495D+01  0.312689D+01
               121           122           123           124           125 
      1   0.102157D+02  0.591026D+01  0.451644D+00  0.488609D+01  0.109445D+01
      2  -0.287472D+01 -0.171960D+01 -0.471278D+00  0.423718D+00 -0.330684D+00
      3  -0.734098D+01 -0.419066D+01  0.196340D-01 -0.530981D+01 -0.763765D+00
      4   0.159340D+02  0.746666D+01 -0.362372D+01  0.217694D+01 -0.231484D+00
      5  -0.401048D+01 -0.463728D+01  0.196072D+01  0.869989D+01  0.689416D+00
      6  -0.295729D+01 -0.206495D+01  0.340027D+01  0.181090D+01  0.212895D+01
               126           127           128           129           130 
      1   0.476226D+01 -0.521115D+01 -0.852324D+01 -0.296876D+01 -0.782744D+01
      2  -0.351253D+01  0.630717D+01  0.100141D+02  0.222978D+01  0.923428D+01
      3  -0.124972D+01 -0.109602D+01 -0.149091D+01  0.738985D+00 -0.140684D+01
      4   0.138471D+01  0.353049D+01  0.721086D+01  0.153793D+01  0.482977D+01
      5  -0.173745D+01  0.127173D+01  0.135678D+01  0.191464D+01  0.104945D+01
      6  -0.109485D+00  0.263773D+01  0.409417D+01  0.244901D+01  0.334566D+01
               131           132           133           134           135 
      1  -0.323150D+02 -0.920619D+01 -0.241761D+01 -0.893352D+01 -0.344508D+01
      2   0.411805D+02  0.852887D+01  0.287304D+01  0.106758D+02  0.389015D+01
      3  -0.886551D+01  0.677326D+00 -0.455424D+00 -0.174225D+01 -0.445073D+00
      4  -0.832263D+00 -0.590817D+00  0.145679D+01 -0.915006D-01  0.128452D+01
      5  -0.604177D+00  0.109233D+00  0.100444D+01  0.516643D+00  0.650868D+00
      6   0.140560D+02  0.906401D+01  0.996321D+00  0.523056D+01  0.368969D+01
               136           137           138           139           140 
      1   0.220330D+02 -0.140623D+02 -0.288266D+01 -0.877314D+01  0.328047D+01
      2  -0.370936D+01 -0.100627D+01  0.809350D+00 -0.683544D+01  0.169277D+02
      3  -0.183237D+02  0.150686D+02  0.207331D+01  0.156086D+02 -0.202082D+02
      4  -0.340288D+02  0.311800D+02  0.497344D+01  0.344266D+02 -0.443929D+02
      5  -0.710805D+01  0.518765D+01  0.624016D+01  0.755716D+01 -0.896829D+01
      6   0.277917D+01 -0.243444D+01 -0.300244D+01 -0.491527D+01  0.678813D+01
               141           142           143           144           145 
      1   0.735805D+00 -0.104601D+01 -0.747983D-01 -0.132870D-01  0.102492D+03
      2   0.120171D+01 -0.156137D+01  0.349093D+01  0.107927D+01 -0.573760D+02
      3  -0.193752D+01  0.260738D+01 -0.341613D+01 -0.106598D+01 -0.451161D+02
      4  -0.849859D+01  0.678150D+01 -0.861794D+01 -0.293841D+01  0.135043D+02
      5  -0.586227D+01  0.250974D+01 -0.252152D+01 -0.153268D+01  0.997385D+01
      6   0.599911D+01 -0.185155D+01  0.255800D+01  0.210134D+01 -0.220204D+01
               146           147           148           149           150 
      1   0.874446D+01  0.674184D+01  0.697258D+01  0.976176D+01  0.223397D+01
      2  -0.431573D+01 -0.447444D+01 -0.299775D+01 -0.448190D+01 -0.190945D+01
      3  -0.442873D+01 -0.226741D+01 -0.397482D+01 -0.527986D+01 -0.324524D+00
      4   0.937192D+01  0.808712D+00  0.160299D+02  0.411029D+01  0.151393D+01
      5   0.753497D+00  0.965828D+01  0.434465D+01  0.162743D+01  0.135926D+01
      6   0.240801D+00  0.442803D+00  0.911717D+00 -0.144198D+00  0.163870D+01
               151           152           153           154           155 
      1   0.789323D+01  0.245276D+01  0.293951D+01  0.547343D+01  0.472279D+01
      2  -0.422679D+01 -0.134074D+01 -0.165022D+01  0.342114D+01  0.509872D+01
      3  -0.366644D+01 -0.111202D+01 -0.128929D+01 -0.889457D+01 -0.982151D+01
      4   0.467234D+01  0.163738D+01  0.771282D+00  0.193127D+02  0.240399D+02
      5   0.231169D+01  0.488459D+00  0.125753D+01  0.496531D+01  0.570346D+01
      6   0.114583D+00  0.508762D+00  0.594393D+00  0.385884D+01  0.442839D+01
               156           157           158           159           160 
      1   0.111437D+01 -0.134159D+01 -0.159780D+02 -0.402299D+01  0.748568D-01
      2   0.491324D+00  0.118428D+02  0.370803D+02  0.624783D+01  0.238108D+01
      3  -0.160570D+01 -0.105012D+02 -0.211023D+02 -0.222484D+01 -0.245594D+01
      4   0.588443D+01  0.249535D+02  0.468746D+02  0.111697D+02  0.690308D+01
      5   0.512072D+01  0.610154D+01  0.107559D+02  0.635253D+01  0.246403D+01
      6   0.291259D+01  0.621380D+01  0.145258D+02  0.940739D+01  0.254750D+01
               161           162           163           164           165 
      1  -0.348042D+01 -0.186612D+01 -0.437263D+01  0.669407D+01  0.113851D+01
      2   0.822421D+01  0.299848D+01  0.580359D+01 -0.940781D+01 -0.122500D+01
      3  -0.474379D+01 -0.113237D+01 -0.143096D+01  0.271374D+01  0.864908D-01
      4   0.127290D+02  0.414304D+01 -0.851082D+01  0.724938D+01  0.801768D+00
      5   0.343724D+01  0.245463D+01 -0.542339D-01  0.879548D+00  0.152844D+01
      6   0.522546D+01  0.368981D+01  0.730605D+00 -0.175754D+01 -0.208296D+01
               166           167           168           169           170 
      1   0.843464D+01 -0.202870D+02 -0.393917D+01  0.154408D+01 -0.384335D+01
      2  -0.108039D+02  0.269059D+02  0.341116D+01 -0.210486D+01  0.457844D+01
      3   0.236926D+01 -0.661890D+01  0.528002D+00  0.560777D+00 -0.735091D+00
      4   0.738585D+01 -0.833068D+01 -0.112733D+01  0.115269D+01 -0.143375D+01
      5   0.994100D+00 -0.129659D+01 -0.148346D+01  0.849704D+00 -0.624691D+00
      6  -0.274996D+01  0.545107D+01  0.494526D+01 -0.101400D+01  0.227237D+01
               171           172           173           174           175 
      1  -0.940879D+00 -0.299969D+01 -0.240862D+01  0.102540D+02 -0.781824D+00
      2   0.166944D+01 -0.197423D+00 -0.186045D+00  0.180922D+01  0.399273D+00
      3  -0.728562D+00  0.319711D+01  0.259467D+01 -0.120632D+02  0.382551D+00
      4  -0.196956D+01  0.578565D+00 -0.240299D+01  0.729036D-01  0.344207D+01
      5  -0.129213D+01  0.132417D+01  0.147716D+01 -0.657068D+01 -0.867795D+00
      6   0.158858D+01 -0.979981D+00 -0.143667D+01  0.427813D+01 -0.894375D-01
               176           177           178           179           180 
      1  -0.299377D+01  0.536742D+01  0.844375D+01  0.716317D+01 -0.248624D+02
      2   0.993561D+00  0.265584D+01 -0.435574D+01  0.168329D+01 -0.126539D+02
      3   0.200021D+01 -0.802326D+01 -0.408801D+01 -0.884646D+01  0.375163D+02
      4  -0.689897D+01  0.193208D+01 -0.314113D+01  0.361804D+01 -0.797151D+01
      5   0.242988D+01 -0.116669D+02  0.749703D+01 -0.996129D+01  0.334703D+02
      6  -0.287806D+01  0.881051D+01  0.329570D+00  0.796330D+01 -0.171572D+02

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.501813D+00      0.127548D+01      0.425455D+01
   x         -0.281616D+00     -0.715797D+00     -0.238764D+01
   y         -0.309910D+00     -0.787713D+00     -0.262753D+01
   z         -0.276521D+00     -0.702847D+00     -0.234445D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.993955D+02      0.147289D+02      0.163881D+02
   aniso      0.487170D+02      0.721911D+01      0.803234D+01
   xx         0.126371D+03      0.187263D+02      0.208358D+02
   yx         0.402625D+00      0.596629D-01      0.663839D-01
   yy         0.100540D+03      0.148985D+02      0.165768D+02
   zx         0.105230D+01      0.155934D+00      0.173500D+00
   zy         0.547514D+01      0.811332D+00      0.902728D+00
   zz         0.712755D+02      0.105619D+02      0.117517D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.110280D+03      0.163418D+02      0.181827D+02
   aniso      0.515143D+02      0.763364D+01      0.849357D+01
   xx         0.139032D+03      0.206023D+02      0.229232D+02
   yx         0.222575D+00      0.329822D-01      0.366976D-01
   yy         0.111016D+03      0.164509D+02      0.183041D+02
   zx         0.128387D+01      0.190249D+00      0.211681D+00
   zy         0.587631D+01      0.870779D+00      0.968872D+00
   zz         0.807927D+02      0.119722D+02      0.133209D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          1.79743201         -0.66319326         -3.68063204
     6         -0.06957318         -1.16592580         -1.90546131
     6          0.00085436         -0.02782729          0.47048632
     6          1.98025051          1.61507087          1.02844964
     6          3.84809531          2.12727537         -0.74599001
     6          3.76079408          0.98799709         -3.10985099
     6         -2.07648581         -0.48288379          2.38707606
     7         -2.88154853         -3.13309871          2.32361648
     6         -4.36773455          1.19509392          1.84617470
     1         -4.28360296         -3.43799186          3.59120548
     1         -1.32070315          0.06463380          4.24415736
     1         -5.15308018          0.74474300         -0.00557251
     1         -3.83379570          3.18485701          1.87046587
     1         -5.83731753          0.90308897          3.26829073
     1          2.06207774          2.49797152          2.87523312
     1          5.37539950          3.40560907         -0.27783445
     1          5.21640434          1.37545879         -4.49381304
     1          1.72110966         -1.56341910         -5.51666398
     1         -1.59074908         -2.46191844         -2.33501284
     1         -1.42670246         -4.29498573          2.77272661

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.501813D+00      0.127548D+01      0.425455D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.501813D+00      0.127548D+01      0.425455D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.993955D+02      0.147289D+02      0.163881D+02
   aniso      0.487170D+02      0.721911D+01      0.803234D+01
   xx         0.108018D+03      0.160066D+02      0.178098D+02
   yx         0.164280D+02      0.243438D+01      0.270861D+01
   yy         0.857230D+02      0.127028D+02      0.141338D+02
   zx        -0.183095D+02     -0.271318D+01     -0.301883D+01
   zy         0.652719D+01      0.967230D+00      0.107619D+01
   zz         0.104446D+03      0.154772D+02      0.172207D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.110280D+03      0.163418D+02      0.181827D+02
   aniso      0.515143D+02      0.763364D+01      0.849357D+01
   xx         0.119537D+03      0.177135D+02      0.197090D+02
   yx         0.174659D+02      0.258819D+01      0.287974D+01
   yy         0.956936D+02      0.141803D+02      0.157777D+02
   zx        -0.193571D+02     -0.286843D+01     -0.319155D+01
   zy         0.643342D+01      0.953334D+00      0.106073D+01
   zz         0.115610D+03      0.171316D+02      0.190615D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-U22-12\Freq\RB3LYP\Gen\C8H11N1\PIERPA\12-Aug-2021\0\\#P B
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 HAPPINESS IS NOT HAVING WHAT YOU WANT --
 HAPPINESS IS WANTING WHAT YOU HAVE!

              -- FROM MRS. SEVERN'S DESK
 Job cpu time:       0 days  2 hours 32 minutes 48.6 seconds.
 Elapsed time:       0 days  0 hours 19 minutes 10.2 seconds.
 File lengths (MBytes):  RWF=    259 Int=      0 D2E=      0 Chk=     10 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 20:03:11 2021.
